AN-329/40210103
TL;DR: AN-329/40210103 (CAS 314291-34-4) is a chemical compound with molecular formula C17H12N6O5S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: AN-329/40210103, 4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid, 4-[2-(1-(aminocarbothioyl)-3-{4-nitrophenyl}-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzoic acid, 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid, 4-[2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C17H12N6O5S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 2.9569 |
| Topological Polar Surface Area | 168.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.059 |
| Heavy Atoms | 29 |
| Complexity | 1194.5466 |
Chemical Identifiers
| CAS Number | 314291-34-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)N(N2)C(=S)N)N=NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
AN-329/40210103 (CAS 314291-34-4), with molecular formula C17H12N6O5S and molecular weight 412.06 g/mol. IUPAC: 4-[[2-carbamothioyl-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of AN-329/40210103
Property Insights of AN-329/40210103
The XLogP value of 2.9569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/40210103. The TPSA of 168.97 Ų indicates high polarity, suggesting AN-329/40210103 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AN-329/40210103 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 AN-329/40210103?
The CAS number of AN-329/40210103 is 314291-34-4.
What is the molecular formula of AN-329/40210103?
The molecular formula of AN-329/40210103 is C17H12N6O5S.
What is the molecular weight of AN-329/40210103?
The molecular weight of AN-329/40210103 is 412.06 g/mol.
Where can I buy AN-329/40210103?
You can request a quote for AN-329/40210103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40210103?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40210103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.