AP-427/40954793
TL;DR: AP-427/40954793 (CAS 259654-03-0) is a chemical compound with molecular formula C19H17Cl3N6S and molecular weight 466.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[6-[(Z)-[chloro(dimethylamino)methylidene]amino]-4-(4-chlorophenyl)-3,5-dicyano-4H-thiopyran-2-yl]-N,N-dimethylcarbamimidoyl chloride
Also Known As: AP-427/40954793, N'-[6-{[chloro(dimethylamino)methylene]amino}-4-(4-chlorophenyl)-3,5-dicyano-4H-thiopyran-2-yl]-N,N-dimethylcarbamimidic chloride, N'-[6-[(Z)-[chloro(dimethylamino)methylidene]amino]-4-(4-chlorophenyl)-3,5-dicyano-4H-thiopyran-2-yl]-N,N-dimethylcarbamimidoyl chloride
| Molecular Formula | C19H17Cl3N6S |
|---|---|
| Molecular Weight | 466.03 g/mol |
| LogP | 4.95356 |
| Topological Polar Surface Area | 78.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.0301 |
| Heavy Atoms | 29 |
| Complexity | 936.25616 |
Chemical Identifiers
| CAS Number | 259654-03-0 |
|---|---|
| SMILES | CN(/C(=N/C1=C(C(C(=C(S1)/N=C(\Cl)/N(C)C)C#N)C2=CC=C(C=C2)Cl)C#N)/Cl)C |
Product Overview
AP-427/40954793 (CAS 259654-03-0), with molecular formula C19H17Cl3N6S and molecular weight 466.03 g/mol. IUPAC: N'-[6-[(Z)-[chloro(dimethylamino)methylidene]amino]-4-(4-chlorophenyl)-3,5-dicyano-4H-thiopyran-2-yl]-N,N-dimethylcarbamimidoyl chloride.
Chemical Property Profile of AP-427/40954793
Property Insights of AP-427/40954793
The XLogP value of 4.95356 indicates that AP-427/40954793 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-427/40954793. Following Lipinski's Rule of Five, AP-427/40954793 has 0 hydrogen bond donor(s) and 5 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 AP-427/40954793?
The CAS number of AP-427/40954793 is 259654-03-0.
What is the molecular formula of AP-427/40954793?
The molecular formula of AP-427/40954793 is C19H17Cl3N6S.
What is the molecular weight of AP-427/40954793?
The molecular weight of AP-427/40954793 is 466.03 g/mol.
Where can I buy AP-427/40954793?
You can request a quote for AP-427/40954793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-427/40954793?
Yes, KEHONG BIO provides custom synthesis services for AP-427/40954793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.