BAS 00329528
TL;DR: BAS 00329528 (CAS 331001-46-8) is a chemical compound with molecular formula C28H26N2O3S and molecular weight 470.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00329528, ethyl 6-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-{[(2-phenylquinolin-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(2-phenylquinoline-4-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C28H26N2O3S |
|---|---|
| Molecular Weight | 470.17 g/mol |
| LogP | 6.5171 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.1664 |
| Heavy Atoms | 34 |
| Complexity | 1377.4376 |
Chemical Identifiers
| CAS Number | 331001-46-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
BAS 00329528 (CAS 331001-46-8), with molecular formula C28H26N2O3S and molecular weight 470.17 g/mol. IUPAC: ethyl 6-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00329528
Property Insights of BAS 00329528
The XLogP value of 6.5171 indicates that BAS 00329528 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00329528. Following Lipinski's Rule of Five, BAS 00329528 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00329528?
The CAS number of BAS 00329528 is 331001-46-8.
What is the molecular formula of BAS 00329528?
The molecular formula of BAS 00329528 is C28H26N2O3S.
What is the molecular weight of BAS 00329528?
The molecular weight of BAS 00329528 is 470.17 g/mol.
Where can I buy BAS 00329528?
You can request a quote for BAS 00329528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329528?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.