AB00113904-01
TL;DR: AB00113904-01 (CAS 1268839-06-0) is a chemical compound with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
Also Known As: AB00113904-01, (E)-2-(benzenesulfonyl)-3-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide, (2E)-3-(3-methyl(2-thienyl))-2-(phenylsulfonyl)-N-(3-pyridylmethyl)prop-2-enam ide, (2E)-3-(3-methylthiophen-2-yl)-2-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)prop-2-enamide, (E)-3-(3-methylthiophen-2-yl)-2-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)acrylamide
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 3.58272 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.0759 |
| Heavy Atoms | 27 |
| Complexity | 1056.8759 |
Chemical Identifiers
| CAS Number | 1268839-06-0 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C(\C(=O)NCC2=CN=CC=C2)/S(=O)(=O)C3=CC=CC=C3 |
Product Overview
AB00113904-01 (CAS 1268839-06-0), with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(3-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
Chemical Property Profile of AB00113904-01
Property Insights of AB00113904-01
The XLogP value of 3.58272 indicates that AB00113904-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113904-01. Following Lipinski's Rule of Five, AB00113904-01 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 AB00113904-01?
The CAS number of AB00113904-01 is 1268839-06-0.
What is the molecular formula of AB00113904-01?
The molecular formula of AB00113904-01 is C20H18N2O3S2.
What is the molecular weight of AB00113904-01?
The molecular weight of AB00113904-01 is 398.08 g/mol.
Where can I buy AB00113904-01?
You can request a quote for AB00113904-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113904-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113904-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.