BAS 00867679
TL;DR: BAS 00867679 (CAS 332053-63-1) is a chemical compound with molecular formula C27H19N3O3S and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-phenylacetamide
Also Known As: BAS 00867679, 2-((4-(Benzo[d][1,3]dioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl)thio)-N-phenylacetamide, 2-(4-Benzo[1,3]dioxol-5-yl-3-cyano-6-phenyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide, 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide
| Molecular Formula | C27H19N3O3S |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 5.74678 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.11472 |
| Heavy Atoms | 34 |
| Complexity | 1385.8933 |
Chemical Identifiers
| CAS Number | 332053-63-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)NC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
BAS 00867679 (CAS 332053-63-1), with molecular formula C27H19N3O3S and molecular weight 465.11 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of BAS 00867679
Property Insights of BAS 00867679
The XLogP value of 5.74678 indicates that BAS 00867679 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 00867679. Following Lipinski's Rule of Five, BAS 00867679 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 00867679?
The CAS number of BAS 00867679 is 332053-63-1.
What is the molecular formula of BAS 00867679?
The molecular formula of BAS 00867679 is C27H19N3O3S.
What is the molecular weight of BAS 00867679?
The molecular weight of BAS 00867679 is 465.11 g/mol.
Where can I buy BAS 00867679?
You can request a quote for BAS 00867679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867679?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.