AB00668028-01
TL;DR: AB00668028-01 (CAS 476367-96-1) is a chemical compound with molecular formula C23H15ClN2O3S2 and molecular weight 466.02 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-chloro-1-benzothiophene-2-carboxamide
Also Known As: AB00668028-01, F0526-2194, N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-3-chlorobenzo[b]thiophene-2-carboxamide, N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-chloro-1-benzothiophene-2-carboxamide, N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-3-chloro-1-benzothiophene-2-carboxamide
| Molecular Formula | C23H15ClN2O3S2 |
|---|---|
| Molecular Weight | 466.02 g/mol |
| LogP | 6.3681 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.02127 |
| Heavy Atoms | 31 |
| Complexity | 1383.7236 |
Chemical Identifiers
| CAS Number | 476367-96-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC5=C(C=C4)OCO5 |
Product Overview
AB00668028-01 (CAS 476367-96-1), with molecular formula C23H15ClN2O3S2 and molecular weight 466.02 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AB00668028-01
Property Insights of AB00668028-01
The XLogP value of 6.3681 indicates that AB00668028-01 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 AB00668028-01. Following Lipinski's Rule of Five, AB00668028-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668028-01?
The CAS number of AB00668028-01 is 476367-96-1.
What is the molecular formula of AB00668028-01?
The molecular formula of AB00668028-01 is C23H15ClN2O3S2.
What is the molecular weight of AB00668028-01?
The molecular weight of AB00668028-01 is 466.02 g/mol.
Where can I buy AB00668028-01?
You can request a quote for AB00668028-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668028-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668028-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.