BAS 01067061
TL;DR: BAS 01067061 (CAS 334503-52-5) is a chemical compound with molecular formula C17H17N3O3S2 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01067061, methyl 2-(3-nicotinoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H17N3O3S2 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 2.9353 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.07114 |
| Heavy Atoms | 25 |
| Complexity | 818.0456 |
Chemical Identifiers
| CAS Number | 334503-52-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CN=CC=C3 |
Product Overview
BAS 01067061 (CAS 334503-52-5), with molecular formula C17H17N3O3S2 and molecular weight 375.07 g/mol. IUPAC: methyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01067061
Property Insights of BAS 01067061
The XLogP value of 2.9353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01067061. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01067061. Following Lipinski's Rule of Five, BAS 01067061 has 2 hydrogen bond donor(s) and 6 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 01067061?
The CAS number of BAS 01067061 is 334503-52-5.
What is the molecular formula of BAS 01067061?
The molecular formula of BAS 01067061 is C17H17N3O3S2.
What is the molecular weight of BAS 01067061?
The molecular weight of BAS 01067061 is 375.07 g/mol.
Where can I buy BAS 01067061?
You can request a quote for BAS 01067061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01067061?
Yes, KEHONG BIO provides custom synthesis services for BAS 01067061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.