BAS 00435416
TL;DR: BAS 00435416 (CAS 488086-19-7) is a chemical compound with molecular formula C17H16N4OS2 and molecular weight 356.08 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]pyridine-3-carboxamide
Also Known As: BAS 00435416, N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide, N-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl)nicotinamide, N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-N'-(3-PYRIDYLCARBONYL)THIOUREA
| Molecular Formula | C17H16N4OS2 |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 3.41048 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.07657 |
| Heavy Atoms | 24 |
| Complexity | 807.9883 |
Chemical Identifiers
| CAS Number | 488086-19-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CN=CC=C3 |
Product Overview
BAS 00435416 (CAS 488086-19-7), with molecular formula C17H16N4OS2 and molecular weight 356.08 g/mol. IUPAC: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of BAS 00435416
Property Insights of BAS 00435416
The XLogP value of 3.41048 indicates that BAS 00435416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435416. Following Lipinski's Rule of Five, BAS 00435416 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 00435416?
The CAS number of BAS 00435416 is 488086-19-7.
What is the molecular formula of BAS 00435416?
The molecular formula of BAS 00435416 is C17H16N4OS2.
What is the molecular weight of BAS 00435416?
The molecular weight of BAS 00435416 is 356.08 g/mol.
Where can I buy BAS 00435416?
You can request a quote for BAS 00435416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435416?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.