AB00108954-01
TL;DR: AB00108954-01 (CAS 428495-97-0) is a chemical compound with molecular formula C26H30N2O4S and molecular weight 466.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
Also Known As: AB00108954-01, 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide, 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide, 4-{[(3,4-dimethylphenyl)(methylsulfonyl)amino]methyl}-N-[2-(4-methoxyphenyl)ethyl]benzamide
| Molecular Formula | C26H30N2O4S |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 4.25074 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.19263 |
| Heavy Atoms | 33 |
| Complexity | 1204.0442 |
Chemical Identifiers
| CAS Number | 428495-97-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OC)S(=O)(=O)C)C |
Product Overview
AB00108954-01 (CAS 428495-97-0), with molecular formula C26H30N2O4S and molecular weight 466.19 g/mol. IUPAC: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
Chemical Property Profile of AB00108954-01
Property Insights of AB00108954-01
The XLogP value of 4.25074 indicates that AB00108954-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00108954-01. Following Lipinski's Rule of Five, AB00108954-01 has 1 hydrogen bond donor(s) and 4 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 AB00108954-01?
The CAS number of AB00108954-01 is 428495-97-0.
What is the molecular formula of AB00108954-01?
The molecular formula of AB00108954-01 is C26H30N2O4S.
What is the molecular weight of AB00108954-01?
The molecular weight of AB00108954-01 is 466.19 g/mol.
Where can I buy AB00108954-01?
You can request a quote for AB00108954-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108954-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108954-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.