AB00668018-01
TL;DR: AB00668018-01 (CAS 476367-70-1) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-phenylpropanamide
Also Known As: AB00668018-01, F0526-2168, N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-3-phenylpropanamide, N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-3-phenylpropanamide, N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-phenylpropanamide
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.819 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 1083.4927 |
Chemical Identifiers
| CAS Number | 476367-70-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00668018-01 (CAS 476367-70-1), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-phenylpropanamide.
Chemical Property Profile of AB00668018-01
Property Insights of AB00668018-01
The XLogP value of 4.819 indicates that AB00668018-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668018-01. Following Lipinski's Rule of Five, AB00668018-01 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 AB00668018-01?
The CAS number of AB00668018-01 is 476367-70-1.
What is the molecular formula of AB00668018-01?
The molecular formula of AB00668018-01 is C23H20N2O3S.
What is the molecular weight of AB00668018-01?
The molecular weight of AB00668018-01 is 404.12 g/mol.
Where can I buy AB00668018-01?
You can request a quote for AB00668018-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668018-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668018-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.