AR-1J5997
TL;DR: AR-1J5997 (CAS 33605-72-0) is a chemical compound with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: methyl n-[(benzyloxy)carbonyl]-, A-aspartylphenylalaninate, N-Benzyloxycarbonyl-aspartylphenylalanine methyl ester, 3-(Benzyloxycarbonylamino)-N-[alpha-(methoxycarbonyl)phenethyl]succinamidic acid, 3-[(Benzyloxycarbonyl)amino]-4-[alpha-(methoxycarbonyl)phenethylamino]-4-oxobutyric acid
| Molecular Formula | C22H24N2O7 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 428.15836 |
| Heavy Atoms | 31 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 33605-72-0 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | YSCNREZXFSZAQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AR-1J5997 (CAS 33605-72-0), with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol. IUPAC: 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of AR-1J5997
Property Insights of AR-1J5997
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AR-1J5997. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AR-1J5997. Following Lipinski's Rule of Five, AR-1J5997 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AR-1J5997?
The CAS number of AR-1J5997 is 33605-72-0.
What is the molecular formula of AR-1J5997?
The molecular formula of AR-1J5997 is C22H24N2O7.
What is the molecular weight of AR-1J5997?
The molecular weight of AR-1J5997 is 428.16 g/mol.
Where can I buy AR-1J5997?
You can request a quote for AR-1J5997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-1J5997?
Yes, KEHONG BIO provides custom synthesis services for AR-1J5997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.