AN-698/42578361
TL;DR: AN-698/42578361 (CAS 708234-54-2) is a chemical compound with molecular formula C22H23ClN4O5S and molecular weight 490.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-morpholin-4-ylsulfonylbenzamide
Also Known As: AN-698/42578361, 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-morpholin-4-ylsulfonylbenzamide, 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(4-morpholinylsulfonyl)benzamide, 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(morpholin-4-ylsulfonyl)benzamide
| Molecular Formula | C22H23ClN4O5S |
|---|---|
| Molecular Weight | 490.11 g/mol |
| LogP | 2.41102 |
| Topological Polar Surface Area | 102.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.10776 |
| Heavy Atoms | 33 |
| Complexity | 1359.4133 |
Chemical Identifiers
| CAS Number | 708234-54-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4 |
Product Overview
AN-698/42578361 (CAS 708234-54-2), with molecular formula C22H23ClN4O5S and molecular weight 490.11 g/mol. IUPAC: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of AN-698/42578361
Property Insights of AN-698/42578361
The XLogP value of 2.41102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/42578361. The TPSA of 102.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42578361. Following Lipinski's Rule of Five, AN-698/42578361 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 AN-698/42578361?
The CAS number of AN-698/42578361 is 708234-54-2.
What is the molecular formula of AN-698/42578361?
The molecular formula of AN-698/42578361 is C22H23ClN4O5S.
What is the molecular weight of AN-698/42578361?
The molecular weight of AN-698/42578361 is 490.11 g/mol.
Where can I buy AN-698/42578361?
You can request a quote for AN-698/42578361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42578361?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42578361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.