AB00684664-01
TL;DR: AB00684664-01 (CAS 851782-23-5) is a chemical compound with molecular formula C18H21N3O5S2 and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
Also Known As: AB00684664-01, F0622-0179, N-(3-(5-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide, N-[3-[3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide, N-{3-[1-methanesulfonyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
| Molecular Formula | C18H21N3O5S2 |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 2.1774 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.09225 |
| Heavy Atoms | 28 |
| Complexity | 1110.165 |
Chemical Identifiers
| CAS Number | 851782-23-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C)C3=CC(=CC=C3)NS(=O)(=O)C |
Product Overview
AB00684664-01 (CAS 851782-23-5), with molecular formula C18H21N3O5S2 and molecular weight 423.09 g/mol. IUPAC: N-[3-[3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
Chemical Property Profile of AB00684664-01
Property Insights of AB00684664-01
The XLogP value of 2.1774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684664-01. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684664-01. Following Lipinski's Rule of Five, AB00684664-01 has 1 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 AB00684664-01?
The CAS number of AB00684664-01 is 851782-23-5.
What is the molecular formula of AB00684664-01?
The molecular formula of AB00684664-01 is C18H21N3O5S2.
What is the molecular weight of AB00684664-01?
The molecular weight of AB00684664-01 is 423.09 g/mol.
Where can I buy AB00684664-01?
You can request a quote for AB00684664-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684664-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684664-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.