AB00093855-01
TL;DR: AB00093855-01 (CAS 419560-35-3) is a chemical compound with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
Also Known As: AB00093855-01, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
| Molecular Formula | C19H17ClN2O2S2 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 5.15462 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.042 |
| Heavy Atoms | 26 |
| Complexity | 1051.6626 |
Chemical Identifiers
| CAS Number | 419560-35-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)Cl |
Product Overview
AB00093855-01 (CAS 419560-35-3), with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AB00093855-01
Property Insights of AB00093855-01
The XLogP value of 5.15462 indicates that AB00093855-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093855-01. Following Lipinski's Rule of Five, AB00093855-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00093855-01?
The CAS number of AB00093855-01 is 419560-35-3.
What is the molecular formula of AB00093855-01?
The molecular formula of AB00093855-01 is C19H17ClN2O2S2.
What is the molecular weight of AB00093855-01?
The molecular weight of AB00093855-01 is 404.04 g/mol.
Where can I buy AB00093855-01?
You can request a quote for AB00093855-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093855-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093855-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.