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Screening compounds

Orb1744069

Also known as 4-[(3S)-3-(2-chloro-4-methylsulfonylphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine, (S)-4-(3-(2-Chloro-4-(methylsulfonyl)phenyl)-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine

CAS 2379783-62-5Formula C17H21ClN4O3SMolar mass 396.90 g/mol
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Orb1744069 chemical structure, C17H21ClN4O3S, CAS 2379783-62-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2379783-62-5
Formula
C17H21ClN4O3S
Molar mass
396.90 g/mol
HS code
293499
Category
Screening compounds

What is Orb1744069?

Plain description, key identifiers and synonyms

Orb1744069 is a chemical substance with the molecular formula C17H21ClN4O3S and a molar mass of 396.90 g/mol. Its CAS registry number is 2379783-62-5. The IUPAC name is 4-[(3S)-3-(2-chloro-4-methylsulfonylphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(3S)-3-(2-chloro-4-methylsulfonylphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CAS number
2379783-62-5
Molecular formula
C17H21ClN4O3S
InChIKey
BRVSQKUHXCLBQJ-OAHLLOKOSA-N
InChI
InChI=1S/C17H21ClN4O3S/c1-11-8-16(21-17(19)20-11)22-6-3-7-25-10-15(22)13-5-4-12(9-14(13)18)26(2,23)24/h4-5,8-9,15H,3,6-7,10H2,1-2H3,(H2,19,20,21)/t15-/m1/s1
Canonical SMILES
Cc1cc(N2CCCOCC2c2ccc(S(C)(=O)=O)cc2Cl)nc(N)n1
Isomeric SMILES
CC1=CC(=NC(=N1)N)N2CCCOC[C@@H]2C3=C(C=C(C=C3)S(=O)(=O)C)Cl

Synonyms

  • 4-[(3S)-3-(2-chloro-4-methylsulfonylphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
  • (S)-4-(3-(2-Chloro-4-(methylsulfonyl)phenyl)-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine

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
396.90 g/molcalc.
Exact mass
396.1023 Dacalc.
LogP (octanol/water)
2.39calc.
Topological polar surface area
98.41 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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, c1ccc(C2COCCCN2c2ccncn2)cc1

c1ccc(C2COCCCN2c2ccncn2)cc1

3 rings, 19 atoms.

2 other chemicals share 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.

Orb1744069 suppliers

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Orb1744069 price

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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 Orb1744069 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 Orb1744069 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1744069, based on the data on this page

What is Orb1744069?

Orb1744069 is a chemical substance with the molecular formula C17H21ClN4O3S and a molar mass of 396.90 g/mol. Its CAS registry number is 2379783-62-5. The IUPAC name is 4-[(3S)-3-(2-chloro-4-methylsulfonylphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine.

What is the CAS number of Orb1744069?

The CAS registry number of Orb1744069 is 2379783-62-5.

What is the molecular formula and weight of Orb1744069?

The molecular formula of Orb1744069 is C17H21ClN4O3S and its molar mass is 396.90 g/mol.

What is Orb1744069 used for?

Known uses and roles of Orb1744069 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1744069 hazardous?

No GHS hazard classification for Orb1744069 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 Orb1744069?

Orb1744069 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 Orb1744069?

Post a free request on CompoundList and suppliers of Orb1744069 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1744069?

Suppliers quote Orb1744069 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

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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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