BAS 01029666
TL;DR: BAS 01029666 (CAS 333777-91-6) is a chemical compound with molecular formula C28H21N3O3S and molecular weight 479.13 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-phenylpropanamide
Also Known As: BAS 01029666, 2-((4-(Benzo[d][1,3]dioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl)thio)-N-phenylpropanamide, 2-(4-Benzo[1,3]dioxol-5-yl-3-cyano-6-phenyl-pyridin-2-ylsulfanyl)-N-phenyl-propionamide, 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-phenylpropanamide, 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl}-N-phenylpropanamide
| Molecular Formula | C28H21N3O3S |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 6.13528 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.13037 |
| Heavy Atoms | 35 |
| Complexity | 1419.064 |
Chemical Identifiers
| CAS Number | 333777-91-6 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=CC=C1)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C#N |
Product Overview
BAS 01029666 (CAS 333777-91-6), with molecular formula C28H21N3O3S and molecular weight 479.13 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-phenylpropanamide.
Chemical Property Profile of BAS 01029666
Property Insights of BAS 01029666
The XLogP value of 6.13528 indicates that BAS 01029666 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 01029666. Following Lipinski's Rule of Five, BAS 01029666 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 01029666?
The CAS number of BAS 01029666 is 333777-91-6.
What is the molecular formula of BAS 01029666?
The molecular formula of BAS 01029666 is C28H21N3O3S.
What is the molecular weight of BAS 01029666?
The molecular weight of BAS 01029666 is 479.13 g/mol.
Where can I buy BAS 01029666?
You can request a quote for BAS 01029666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029666?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.