Opera_ID_1006
TL;DR: Opera_ID_1006 (CAS 369611-07-4) is a chemical compound with molecular formula C21H25N3O7S and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenylpropanoate
Also Known As: BIM-0020415.P001, AE-641/30200033, ethyl 3-hydroxy-2-(4-oxo-4-((4-sulfamoylphenyl)amino)butanamido)-3-phenylpropanoate, ethyl 2-({4-[4-(aminosulfonyl)anilino]-4-oxobutanoyl}amino)-3-hydroxy-3-phenylpropanoate, ethyl 3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenylpropanoate
| Molecular Formula | C21H25N3O7S |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 0.8342 |
| Topological Polar Surface Area | 164.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 463.14133 |
| Heavy Atoms | 32 |
| Complexity | 1040.8228 |
Chemical Identifiers
| CAS Number | 369611-07-4 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
Opera_ID_1006 (CAS 369611-07-4), with molecular formula C21H25N3O7S and molecular weight 463.14 g/mol. IUPAC: ethyl 3-hydroxy-2-[[4-oxo-4-(4-sulfamoylanilino)butanoyl]amino]-3-phenylpropanoate.
Chemical Property Profile of Opera_ID_1006
Property Insights of Opera_ID_1006
The XLogP value of 0.8342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_1006. The TPSA of 164.89 Ų indicates high polarity, suggesting Opera_ID_1006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Opera_ID_1006 has 4 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 Opera_ID_1006?
The CAS number of Opera_ID_1006 is 369611-07-4.
What is the molecular formula of Opera_ID_1006?
The molecular formula of Opera_ID_1006 is C21H25N3O7S.
What is the molecular weight of Opera_ID_1006?
The molecular weight of Opera_ID_1006 is 463.14 g/mol.
Where can I buy Opera_ID_1006?
You can request a quote for Opera_ID_1006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_1006?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_1006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.