AB00684660-01
TL;DR: AB00684660-01 (CAS 851718-72-4) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[3-(4-methoxyphenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
Also Known As: AB00684660-01, F0621-0541, N-(3-(1-isobutyryl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide, N-[3-[3-(4-methoxyphenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide, N-{3-[5-(4-methoxyphenyl)-1-(2-methylpropanoyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 3.4004 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 1030.1466 |
Chemical Identifiers
| CAS Number | 851718-72-4 |
|---|---|
| SMILES | CC(C)C(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=C(C=C3)OC |
Product Overview
AB00684660-01 (CAS 851718-72-4), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: N-[3-[3-(4-methoxyphenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
Chemical Property Profile of AB00684660-01
Property Insights of AB00684660-01
The XLogP value of 3.4004 indicates that AB00684660-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684660-01. Following Lipinski's Rule of Five, AB00684660-01 has 1 hydrogen bond donor(s) and 5 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 AB00684660-01?
The CAS number of AB00684660-01 is 851718-72-4.
What is the molecular formula of AB00684660-01?
The molecular formula of AB00684660-01 is C21H25N3O4S.
What is the molecular weight of AB00684660-01?
The molecular weight of AB00684660-01 is 415.16 g/mol.
Where can I buy AB00684660-01?
You can request a quote for AB00684660-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684660-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684660-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.