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Screening compounds

RefChem:924357

Also known as 3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide, 3-{[(2R)-2-Hydroxypropyl]amino}-3-methyl-N-[(3R)-2-oxo-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]butanamide

CAS 145455-35-2Formula C32H37N7O3Molar mass 567.69 g/mol
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RefChem:924357 chemical structure, C32H37N7O3, CAS 145455-35-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
145455-35-2
Formula
C32H37N7O3
Molar mass
567.69 g/mol
HS code
293379
Category
Screening compounds

What is RefChem:924357?

Plain description, key identifiers and synonyms

3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide is a peptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide
CAS number
145455-35-2 CAS number cross-checked
Molecular formula
C32H37N7O3
InChIKey
AYBCFPXLXOLPIZ-JIPXPUAJSA-N
InChI
InChI=1S/C32H37N7O3/c1-21(40)19-33-32(2,3)18-29(41)34-27-17-16-24-8-4-7-11-28(24)39(31(27)42)20-22-12-14-23(15-13-22)25-9-5-6-10-26(25)30-35-37-38-36-30/h4-15,21,27,33,40H,16-20H2,1-3H3,(H,34,41)(H,35,36,37,38)/t21-,27-/m1/s1
Canonical SMILES
CC(O)CNC(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O
Isomeric SMILES
C[C@H](CNC(C)(C)CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O

Synonyms

  • 3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide
  • 3-{[(2R)-2-Hydroxypropyl]amino}-3-methyl-N-[(3R)-2-oxo-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]butanamide

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
567.69 g/molcalc.
Exact mass
567.2958 Dacalc.
LogP (octanol/water)
3.64calc.
Topological polar surface area
136.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
42calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.34calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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=C1CCCc2ccccc2N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

O=C1CCCc2ccccc2N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

5 rings, 30 atoms.

4 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.

RefChem:924357 suppliers

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RefChem:924357 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 RefChem:924357 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 RefChem:924357 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:924357, based on the data on this page

What is RefChem:924357?

3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide is a peptide.

What is the CAS number of RefChem:924357?

The CAS registry number of RefChem:924357 is 145455-35-2.

What is the molecular formula and weight of RefChem:924357?

The molecular formula of RefChem:924357 is C32H37N7O3 and its molar mass is 567.69 g/mol.

What is RefChem:924357 used for?

Known uses and roles of RefChem:924357 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is RefChem:924357 hazardous?

No GHS hazard classification for RefChem:924357 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 RefChem:924357?

RefChem:924357 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 RefChem:924357?

Post a free request on CompoundList and suppliers of RefChem:924357 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RefChem:924357?

Suppliers quote RefChem:924357 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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