AB00672590-01
TL;DR: AB00672590-01 (CAS 397279-73-1) is a chemical compound with molecular formula C20H14ClN3OS3 and molecular weight 443.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: AB00672590-01, F0806-0637, 3-(3-chloro-1-benzothiophene-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]thiourea, 3-chloro-N-((4-(p-tolyl)thiazol-2-yl)carbamothioyl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H14ClN3OS3 |
|---|---|
| Molecular Weight | 443.00 g/mol |
| LogP | 6.11342 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.99875 |
| Heavy Atoms | 28 |
| Complexity | 1181.1094 |
Chemical Identifiers
| CAS Number | 397279-73-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AB00672590-01 (CAS 397279-73-1), with molecular formula C20H14ClN3OS3 and molecular weight 443.00 g/mol. IUPAC: 3-chloro-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AB00672590-01
Property Insights of AB00672590-01
The XLogP value of 6.11342 indicates that AB00672590-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, AB00672590-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00672590-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672590-01?
The CAS number of AB00672590-01 is 397279-73-1.
What is the molecular formula of AB00672590-01?
The molecular formula of AB00672590-01 is C20H14ClN3OS3.
What is the molecular weight of AB00672590-01?
The molecular weight of AB00672590-01 is 443.00 g/mol.
Where can I buy AB00672590-01?
You can request a quote for AB00672590-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672590-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672590-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.