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Screening compounds

Dianthin E

Also known as (3S,6S,9S,12S,18S)-9-benzyl-3-((2S)-butan-2-yl)-6-(hydroxymethyl)-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo(16.3.0)henicosane-2,5,8,11,14,17-hexone, (3S,6S,9S,12S,18S)-9-benzyl-3-[(2S)-butan-2-yl]-6-(hydroxymethyl)-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

CAS 763932-80-5Formula C30H44N6O7Molar mass 600.72 g/mol
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Dianthin E chemical structure, C30H44N6O7, CAS 763932-80-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
763932-80-5
Formula
C30H44N6O7
Molar mass
600.72 g/mol
HS code
293379
Category
Screening compounds

What is Dianthin E?

Plain description, key identifiers and synonyms

Dianthin E has been reported in Dianthus longicalyx and Dianthus superbus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S,9S,12S,18S)-9-benzyl-3-[(2S)-butan-2-yl]-6-(hydroxymethyl)-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
CAS number
763932-80-5
Molecular formula
C30H44N6O7
InChIKey
NHNDCMROOPKDNF-BYZHJWIBSA-N
InChI
InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18-,20-,21-,22-,24-,25-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)CNC(=O)C2CCCN2C1=O
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC3=CC=CC=C3)C(C)C

Synonyms

  • (3S,6S,9S,12S,18S)-9-benzyl-3-((2S)-butan-2-yl)-6-(hydroxymethyl)-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo(16.3.0)henicosane-2,5,8,11,14,17-hexone
  • (3S,6S,9S,12S,18S)-9-benzyl-3-[(2S)-butan-2-yl]-6-(hydroxymethyl)-12-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

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
600.72 g/molcalc.
Exact mass
600.3271 Dacalc.
LogP (octanol/water)
-1.02calc.
Topological polar surface area
186 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
43calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)CN1

O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)CN1

3 rings, 34 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Dianthin E suppliers

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Dianthin E 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

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 Dianthin E is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Dianthin E, based on the data on this page

What is Dianthin E?

Dianthin E has been reported in Dianthus longicalyx and Dianthus superbus.

What is the CAS number of Dianthin E?

The CAS registry number of Dianthin E is 763932-80-5.

What is the molecular formula and weight of Dianthin E?

The molecular formula of Dianthin E is C30H44N6O7 and its molar mass is 600.72 g/mol.

What is Dianthin E used for?

Known uses and roles of Dianthin E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dianthin E hazardous?

No GHS hazard classification for Dianthin E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Dianthin E?

Dianthin E is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dianthin E?

Post a free request on CompoundList and suppliers of Dianthin E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dianthin E?

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

Guides for buyers

Practical guides that help when you source, ship or handle Dianthin E

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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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