BAS 00539626
TL;DR: BAS 00539626 (CAS 314022-56-5) is a chemical compound with molecular formula C28H25N3O3S and molecular weight 483.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
Also Known As: BAS 00539626, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide, N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-2-(3,4-DIMETHOXYPHENYL)QUINOLINE-4-CARBOXAMIDE, N~4~-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-2-(3,4-DIMETHOXYPHENYL)-4-QUINOLINECARBOXAMIDE
| Molecular Formula | C28H25N3O3S |
|---|---|
| Molecular Weight | 483.16 g/mol |
| LogP | 6.37338 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.16165 |
| Heavy Atoms | 35 |
| Complexity | 1468.5719 |
Chemical Identifiers
| CAS Number | 314022-56-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N)OC |
Product Overview
BAS 00539626 (CAS 314022-56-5), with molecular formula C28H25N3O3S and molecular weight 483.16 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
Chemical Property Profile of BAS 00539626
Property Insights of BAS 00539626
The XLogP value of 6.37338 indicates that BAS 00539626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00539626. Following Lipinski's Rule of Five, BAS 00539626 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00539626?
The CAS number of BAS 00539626 is 314022-56-5.
What is the molecular formula of BAS 00539626?
The molecular formula of BAS 00539626 is C28H25N3O3S.
What is the molecular weight of BAS 00539626?
The molecular weight of BAS 00539626 is 483.16 g/mol.
Where can I buy BAS 00539626?
You can request a quote for BAS 00539626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00539626?
Yes, KEHONG BIO provides custom synthesis services for BAS 00539626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.