Cgp 8065
TL;DR: Cgp 8065 (CAS 62939-04-2) is a chemical compound with molecular formula C16H15N3O4S2 and molecular weight 377.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid
Also Known As: Cgp 8065, Propanoic acid, 3-((((4-((4-nitrophenyl)amino)phenyl)amino)thioxomethyl)thio)-, 3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid, N-(4-(4'-Nitroanilino)phenyl) S-(beta-carboxyethyl)dithiocarbamate, 3-({[4-(4-Nitroanilino)phenyl]carbamothioyl}sulfanyl)propanoic acid
| Molecular Formula | C16H15N3O4S2 |
|---|---|
| Molecular Weight | 377.05 g/mol |
| LogP | 4.2431 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.05038 |
| Heavy Atoms | 25 |
| Complexity | 763.9542 |
Chemical Identifiers
| CAS Number | 62939-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)SCCC(=O)O |
Product Overview
Cgp 8065 (CAS 62939-04-2), with molecular formula C16H15N3O4S2 and molecular weight 377.05 g/mol. IUPAC: 3-[[4-(4-nitroanilino)phenyl]carbamothioylsulfanyl]propanoic acid.
Chemical Property Profile of Cgp 8065
Property Insights of Cgp 8065
The XLogP value of 4.2431 indicates that Cgp 8065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cgp 8065. Following Lipinski's Rule of Five, Cgp 8065 has 3 hydrogen bond donor(s) and 6 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 Cgp 8065?
The CAS number of Cgp 8065 is 62939-04-2.
What is the molecular formula of Cgp 8065?
The molecular formula of Cgp 8065 is C16H15N3O4S2.
What is the molecular weight of Cgp 8065?
The molecular weight of Cgp 8065 is 377.05 g/mol.
Where can I buy Cgp 8065?
You can request a quote for Cgp 8065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cgp 8065?
Yes, KEHONG BIO provides custom synthesis services for Cgp 8065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.