C20H16ClN3OS3
TL;DR: C20H16ClN3OS3 (CAS 477495-39-9) is a chemical compound with molecular formula C20H16ClN3OS3 and molecular weight 445.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: BAS 00435408, 3-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)benzo[b]thiophene-2-carboxamide
| Molecular Formula | C20H16ClN3OS3 |
|---|---|
| Molecular Weight | 445.01 g/mol |
| LogP | 5.73948 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.0144 |
| Heavy Atoms | 28 |
| Complexity | 1141.7136 |
Chemical Identifiers
| CAS Number | 477495-39-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
C20H16ClN3OS3 (CAS 477495-39-9), with molecular formula C20H16ClN3OS3 and molecular weight 445.01 g/mol. IUPAC: 3-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of C20H16ClN3OS3
Property Insights of C20H16ClN3OS3
The XLogP value of 5.73948 indicates that C20H16ClN3OS3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H16ClN3OS3. Following Lipinski's Rule of Five, C20H16ClN3OS3 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 C20H16ClN3OS3?
The CAS number of C20H16ClN3OS3 is 477495-39-9.
What is the molecular formula of C20H16ClN3OS3?
The molecular formula of C20H16ClN3OS3 is C20H16ClN3OS3.
What is the molecular weight of C20H16ClN3OS3?
The molecular weight of C20H16ClN3OS3 is 445.01 g/mol.
Where can I buy C20H16ClN3OS3?
You can request a quote for C20H16ClN3OS3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H16ClN3OS3?
Yes, KEHONG BIO provides custom synthesis services for C20H16ClN3OS3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.