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Heterocyclic building blocks

Hoe 166

Also known as Hoe-166, 2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(1-methylethyl)-2-(2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butyl)phenyl)-, dihydrochloride, (R)-, R-(+)-3,4-Dihydro-2-isopropyl-4-methyl-2-(2-(4-(4-(2(3,4,5-trimethoxyphenyl)ethyl)piperazinyl)butoxy)phenyl)-2H-1,4-benzothiazin-3-on-dihydrochloride

CAS 115043-27-1Formula C37H51Cl2N3O5SMolar mass 720.80 g/molEC 630-461-9
GHS signal word: Warning. Pictograms: Gas under pressure 2 suppliers listed
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Hoe 166 chemical structure, C37H51Cl2N3O5S, CAS 115043-27-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
115043-27-1
Formula
C37H51Cl2N3O5S
Molar mass
720.80 g/mol
EC number
630-461-9
HS code
293499
Category
Heterocyclic building blocks

What is Hoe 166?

Plain description, key identifiers and synonyms

Hoe 166 is a chemical substance with the molecular formula C37H51Cl2N3O5S and a molar mass of 720.80 g/mol. Its CAS registry number is 115043-27-1. The IUPAC name is (2R)-4-methyl-2-propan-2-yl-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one, dihydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-4-methyl-2-propan-2-yl-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one, dihydrochloride
CAS number
115043-27-1 CAS number cross-checkedOther or deprecated CAS: 132259-10-0
EC number
630-461-9
Molecular formula
C37H51Cl2N3O5S
InChIKey
HQTMLRUQTHILKM-CHKASDEDSA-N
InChI
InChI=1S/C37H49N3O5S.2ClH/c1-27(2)37(36(41)38(3)30-14-8-10-16-34(30)46-37)29-13-7-9-15-31(29)45-24-12-11-18-39-20-22-40(23-21-39)19-17-28-25-32(42-4)35(44-6)33(26-28)43-5;;/h7-10,13-16,25-27H,11-12,17-24H2,1-6H3;2*1H/t37-;;/m1../s1
Canonical SMILES
COc1cc(CCN2CCN(CCCCOc3ccccc3C3(C(C)C)Sc4ccccc4N(C)C3=O)CC2)cc(OC)c1OC.Cl.Cl
Isomeric SMILES
CC(C)[C@]1(C(=O)N(C2=CC=CC=C2S1)C)C3=CC=CC=C3OCCCCN4CCN(CC4)CCC5=CC(=C(C(=C5)OC)OC)OC.Cl.Cl

Synonyms

  • Hoe-166
  • 2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(1-methylethyl)-2-(2-(4-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)-1-piperazinyl)butyl)phenyl)-, dihydrochloride, (R)-
  • R-(+)-3,4-Dihydro-2-isopropyl-4-methyl-2-(2-(4-(4-(2(3,4,5-trimethoxyphenyl)ethyl)piperazinyl)butoxy)phenyl)-2H-1,4-benzothiazin-3-on-dihydrochloride
  • (2R)-4-methyl-2-propan-2-yl-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one, dihydrochloride
  • (2R)-4-Methyl-2-(propan-2-yl)-2-[2-(4-{4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl}butoxy)phenyl]-2H-1,4-benzothiazin-3(4H)-one--hydrogen chloride (1/2)
  • 4-Methyl-2-(propan-2-yl)-2-[2-(4-{4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl}butoxy)phenyl]-2H-1,4-benzothiazin-3(4H)-one--hydrogen chloride (1/2)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
720.80 g/molcalc.
Exact mass
719.2926 Dacalc.
LogP (octanol/water)
7.2calc.
Topological polar surface area
63.71 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
14calc.
Heavy atoms
48calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.49calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
3calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1Nc2ccccc2SC1c1ccccc1OCCCCN1CCN(CCc2ccccc2)CC1

O=C1Nc2ccccc2SC1c1ccccc1OCCCCN1CCN(CCc2ccccc2)CC1

5 rings, 36 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS04: Gas under pressure
Gas under pressure

Hazard statements

  • H280Contains gas under pressure, may explode if heated.
Precautionary statements (1)
  • P410 + P403Protect from sunlight. Store in a well-ventilated place.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Hoe 166 suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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Hoe 166 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Functional uses

  • Propellants, non-motive (blowing agents)

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hoe 166 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Hoe 166 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hoe 166, based on the data on this page

What is Hoe 166?

Hoe 166 is a chemical substance with the molecular formula C37H51Cl2N3O5S and a molar mass of 720.80 g/mol. Its CAS registry number is 115043-27-1. The IUPAC name is (2R)-4-methyl-2-propan-2-yl-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one, dihydrochloride.

What is the CAS number of Hoe 166?

The CAS registry number of Hoe 166 is 115043-27-1. Other or deprecated CAS numbers: 132259-10-0.

What is the molecular formula and weight of Hoe 166?

The molecular formula of Hoe 166 is C37H51Cl2N3O5S and its molar mass is 720.80 g/mol.

What is Hoe 166 used for?

Known uses and roles of Hoe 166 include building blocks in research and laboratory and propellants, non-motive (blowing agents).

Is Hoe 166 hazardous?

Hoe 166 carries the GHS signal word "Warning". Main hazards: contains gas under pressure, may explode if heated. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hoe 166?

Hoe 166 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hoe 166?

CompoundList lists 2 suppliers of Hoe 166 in Singapore. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hoe 166?

Suppliers quote Hoe 166 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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