BAS 00224335
TL;DR: BAS 00224335 (CAS 352639-12-4) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00224335, ethyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-nicotinoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[(3-pyridinylcarbonyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.3254 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 833.7069 |
Chemical Identifiers
| CAS Number | 352639-12-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CN=CC=C3 |
Product Overview
BAS 00224335 (CAS 352639-12-4), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: ethyl 2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00224335
Property Insights of BAS 00224335
The XLogP value of 3.3254 indicates that BAS 00224335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00224335. Following Lipinski's Rule of Five, BAS 00224335 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 00224335?
The CAS number of BAS 00224335 is 352639-12-4.
What is the molecular formula of BAS 00224335?
The molecular formula of BAS 00224335 is C18H19N3O3S2.
What is the molecular weight of BAS 00224335?
The molecular weight of BAS 00224335 is 389.09 g/mol.
Where can I buy BAS 00224335?
You can request a quote for BAS 00224335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00224335?
Yes, KEHONG BIO provides custom synthesis services for BAS 00224335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.