BAS 01067081
TL;DR: BAS 01067081 (CAS 499996-89-3) is a chemical compound with molecular formula C17H18N4O2S2 and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide
Also Known As: BAS 01067081, N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide, N-((3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)nicotinamide
| Molecular Formula | C17H18N4O2S2 |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 2.4936 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.08713 |
| Heavy Atoms | 25 |
| Complexity | 832.67346 |
Chemical Identifiers
| CAS Number | 499996-89-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CN=CC=C3 |
Product Overview
BAS 01067081 (CAS 499996-89-3), with molecular formula C17H18N4O2S2 and molecular weight 374.09 g/mol. IUPAC: N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of BAS 01067081
Property Insights of BAS 01067081
The XLogP value of 2.4936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01067081. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01067081. Following Lipinski's Rule of Five, BAS 01067081 has 3 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 01067081?
The CAS number of BAS 01067081 is 499996-89-3.
What is the molecular formula of BAS 01067081?
The molecular formula of BAS 01067081 is C17H18N4O2S2.
What is the molecular weight of BAS 01067081?
The molecular weight of BAS 01067081 is 374.09 g/mol.
Where can I buy BAS 01067081?
You can request a quote for BAS 01067081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01067081?
Yes, KEHONG BIO provides custom synthesis services for BAS 01067081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.