BAS 06900546
TL;DR: BAS 06900546 (CAS 497865-59-5) is a chemical compound with molecular formula C22H16ClN3O3S and molecular weight 437.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
Also Known As: BAS 06900546, 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]acetamide, 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-chlorobenzyl)acetamide, 2-{[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(2-chlorobenzyl)acetamide
| Molecular Formula | C22H16ClN3O3S |
|---|---|
| Molecular Weight | 437.06 g/mol |
| LogP | 4.41088 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.0601 |
| Heavy Atoms | 30 |
| Complexity | 1146.7119 |
Chemical Identifiers
| CAS Number | 497865-59-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NCC4=CC=CC=C4Cl |
Product Overview
BAS 06900546 (CAS 497865-59-5), with molecular formula C22H16ClN3O3S and molecular weight 437.06 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide.
Chemical Property Profile of BAS 06900546
Property Insights of BAS 06900546
The XLogP value of 4.41088 indicates that BAS 06900546 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 06900546. Following Lipinski's Rule of Five, BAS 06900546 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06900546?
The CAS number of BAS 06900546 is 497865-59-5.
What is the molecular formula of BAS 06900546?
The molecular formula of BAS 06900546 is C22H16ClN3O3S.
What is the molecular weight of BAS 06900546?
The molecular weight of BAS 06900546 is 437.06 g/mol.
Where can I buy BAS 06900546?
You can request a quote for BAS 06900546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900546?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.