AF-399/14944233
TL;DR: AF-399/14944233 (CAS 342780-24-9) is a chemical compound with molecular formula C19H12ClN3O2S and molecular weight 381.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
Also Known As: AF-399/14944233, 6-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-2,3'-bipyridine-5-carbonitrile, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile, 6-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-[2,3'-bipyridine]-5-carbonitrile, 6-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-cyano-2,3'-bipyridine
| Molecular Formula | C19H12ClN3O2S |
|---|---|
| Molecular Weight | 381.03 g/mol |
| LogP | 4.68968 |
| Topological Polar Surface Area | 68.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.03387 |
| Heavy Atoms | 26 |
| Complexity | 1005.6563 |
Chemical Identifiers
| CAS Number | 342780-24-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=C(C=CC(=N3)C4=CN=CC=C4)C#N)Cl |
Product Overview
AF-399/14944233 (CAS 342780-24-9), with molecular formula C19H12ClN3O2S and molecular weight 381.03 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile.
Chemical Property Profile of AF-399/14944233
Property Insights of AF-399/14944233
The XLogP value of 4.68968 indicates that AF-399/14944233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/14944233. Following Lipinski's Rule of Five, AF-399/14944233 has 0 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 AF-399/14944233?
The CAS number of AF-399/14944233 is 342780-24-9.
What is the molecular formula of AF-399/14944233?
The molecular formula of AF-399/14944233 is C19H12ClN3O2S.
What is the molecular weight of AF-399/14944233?
The molecular weight of AF-399/14944233 is 381.03 g/mol.
Where can I buy AF-399/14944233?
You can request a quote for AF-399/14944233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14944233?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14944233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.