AB00684797-01
TL;DR: AB00684797-01 (CAS 852141-06-1) is a chemical compound with molecular formula C22H25N3O7S and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2,3-dimethoxyphenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: AB00684797-01, 4-[5-(2,3-dimethoxyphenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0652-0063, 4-[3-(2,3-dimethoxyphenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-(5-(2,3-dimethoxyphenyl)-3-(4-(methylsulfonamido)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C22H25N3O7S |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 2.6178 |
| Topological Polar Surface Area | 134.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.14133 |
| Heavy Atoms | 33 |
| Complexity | 1176.9757 |
Chemical Identifiers
| CAS Number | 852141-06-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)NS(=O)(=O)C |
Product Overview
AB00684797-01 (CAS 852141-06-1), with molecular formula C22H25N3O7S and molecular weight 475.14 g/mol. IUPAC: 4-[3-(2,3-dimethoxyphenyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of AB00684797-01
Property Insights of AB00684797-01
The XLogP value of 2.6178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684797-01. The TPSA of 134.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684797-01. Following Lipinski's Rule of Five, AB00684797-01 has 2 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 AB00684797-01?
The CAS number of AB00684797-01 is 852141-06-1.
What is the molecular formula of AB00684797-01?
The molecular formula of AB00684797-01 is C22H25N3O7S.
What is the molecular weight of AB00684797-01?
The molecular weight of AB00684797-01 is 475.14 g/mol.
Where can I buy AB00684797-01?
You can request a quote for AB00684797-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684797-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684797-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.