AF-399/13949020
TL;DR: AF-399/13949020 (CAS 326616-90-4) is a chemical compound with molecular formula C21H24ClN3O5S and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
Also Known As: AF-399/13949020, F1686-0058, methyl N-[4-({3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate, methyl (4-((3-((3-chloro-4-methylphenyl)carbamoyl)piperidin-1-yl)sulfonyl)phenyl)carbamate, methyl N-[4-[3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
| Molecular Formula | C21H24ClN3O5S |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 3.86612 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.11252 |
| Heavy Atoms | 31 |
| Complexity | 1072.9229 |
Chemical Identifiers
| CAS Number | 326616-90-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC)Cl |
Product Overview
AF-399/13949020 (CAS 326616-90-4), with molecular formula C21H24ClN3O5S and molecular weight 465.11 g/mol. IUPAC: methyl N-[4-[3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate.
Chemical Property Profile of AF-399/13949020
Property Insights of AF-399/13949020
The XLogP value of 3.86612 indicates that AF-399/13949020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13949020. Following Lipinski's Rule of Five, AF-399/13949020 has 2 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 AF-399/13949020?
The CAS number of AF-399/13949020 is 326616-90-4.
What is the molecular formula of AF-399/13949020?
The molecular formula of AF-399/13949020 is C21H24ClN3O5S.
What is the molecular weight of AF-399/13949020?
The molecular weight of AF-399/13949020 is 465.11 g/mol.
Where can I buy AF-399/13949020?
You can request a quote for AF-399/13949020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13949020?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13949020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.