BAS 01555691
TL;DR: BAS 01555691 (CAS 332389-90-9) is a chemical compound with molecular formula C17H17N3OS3 and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-thiophen-2-ylacetamide
Also Known As: BAS 01555691, 1-(3-Cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2-thiophen-2-yl-acetyl)-thiourea, N-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl)-2-(thiophen-2-yl)acetamide, N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-(thiophen-2-yl)acetamide, N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-thiophen-2-ylacetamide
| Molecular Formula | C17H17N3OS3 |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 4.00588 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.05338 |
| Heavy Atoms | 24 |
| Complexity | 786.853 |
Chemical Identifiers
| CAS Number | 332389-90-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)CC3=CC=CS3 |
Product Overview
BAS 01555691 (CAS 332389-90-9), with molecular formula C17H17N3OS3 and molecular weight 375.05 g/mol. IUPAC: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-thiophen-2-ylacetamide.
Chemical Property Profile of BAS 01555691
Property Insights of BAS 01555691
The XLogP value of 4.00588 indicates that BAS 01555691 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 BAS 01555691. Following Lipinski's Rule of Five, BAS 01555691 has 2 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 BAS 01555691?
The CAS number of BAS 01555691 is 332389-90-9.
What is the molecular formula of BAS 01555691?
The molecular formula of BAS 01555691 is C17H17N3OS3.
What is the molecular weight of BAS 01555691?
The molecular weight of BAS 01555691 is 375.05 g/mol.
Where can I buy BAS 01555691?
You can request a quote for BAS 01555691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01555691?
Yes, KEHONG BIO provides custom synthesis services for BAS 01555691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.