AS-871/42173493
TL;DR: AS-871/42173493 (CAS 853902-95-1) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-4-oxobut-2-enoic acid
Also Known As: AS-871/42173493, (Z)-4-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-3-methyl-4-oxobut-2-enoic acid, F1729-0147, (Z)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-4-oxobut-2-enoic acid, 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]but-2-enoic Acid
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 1.45382 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 844.20056 |
Chemical Identifiers
| CAS Number | 853902-95-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C\C(=O)O)/C |
Product Overview
AS-871/42173493 (CAS 853902-95-1), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: (Z)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of AS-871/42173493
Property Insights of AS-871/42173493
The XLogP value of 1.45382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42173493. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42173493. Following Lipinski's Rule of Five, AS-871/42173493 has 2 hydrogen bond donor(s) and 3 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 AS-871/42173493?
The CAS number of AS-871/42173493 is 853902-95-1.
What is the molecular formula of AS-871/42173493?
The molecular formula of AS-871/42173493 is C16H17N3O4.
What is the molecular weight of AS-871/42173493?
The molecular weight of AS-871/42173493 is 315.12 g/mol.
Where can I buy AS-871/42173493?
You can request a quote for AS-871/42173493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42173493?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42173493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.