BAS 00684586
TL;DR: BAS 00684586 (CAS 306280-72-8) is a chemical compound with molecular formula C25H21N3O2S and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide
Also Known As: BAS 00684586, AE-848/09346021, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide, F0239-0092, N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-phenylquinoline-4-carboxamide
| Molecular Formula | C25H21N3O2S |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 5.1933 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.13544 |
| Heavy Atoms | 31 |
| Complexity | 1311.3538 |
Chemical Identifiers
| CAS Number | 306280-72-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)N |
Product Overview
BAS 00684586 (CAS 306280-72-8), with molecular formula C25H21N3O2S and molecular weight 427.14 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide.
Chemical Property Profile of BAS 00684586
Property Insights of BAS 00684586
The XLogP value of 5.1933 indicates that BAS 00684586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00684586. Following Lipinski's Rule of Five, BAS 00684586 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00684586?
The CAS number of BAS 00684586 is 306280-72-8.
What is the molecular formula of BAS 00684586?
The molecular formula of BAS 00684586 is C25H21N3O2S.
What is the molecular weight of BAS 00684586?
The molecular weight of BAS 00684586 is 427.14 g/mol.
Where can I buy BAS 00684586?
You can request a quote for BAS 00684586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00684586?
Yes, KEHONG BIO provides custom synthesis services for BAS 00684586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.