C15H11ClN6S
TL;DR: C15H11ClN6S (CAS 384366-63-6) is a chemical compound with molecular formula C15H11ClN6S and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Also Known As: (6Z)-6-{(2E)-[1-(5-chlorothiophen-2-yl)ethylidene]hydrazinylidene}-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine, (E)-6-(2-(1-(5-chlorothiophen-2-yl)ethylidene)hydrazinyl)-[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C15H11ClN6S |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 3.8285 |
| Topological Polar Surface Area | 67.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.04544 |
| Heavy Atoms | 23 |
| Complexity | 1034.7456 |
Chemical Identifiers
| CAS Number | 384366-63-6 |
|---|---|
| SMILES | C/C(=N\NC1=NN2C=NN=C2C3=CC=CC=C31)/C4=CC=C(S4)Cl |
Product Overview
C15H11ClN6S (CAS 384366-63-6), with molecular formula C15H11ClN6S and molecular weight 342.05 g/mol. IUPAC: N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
Chemical Property Profile of C15H11ClN6S
Property Insights of C15H11ClN6S
The XLogP value of 3.8285 indicates that C15H11ClN6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.47 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H11ClN6S. Following Lipinski's Rule of Five, C15H11ClN6S 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 C15H11ClN6S?
The CAS number of C15H11ClN6S is 384366-63-6.
What is the molecular formula of C15H11ClN6S?
The molecular formula of C15H11ClN6S is C15H11ClN6S.
What is the molecular weight of C15H11ClN6S?
The molecular weight of C15H11ClN6S is 342.05 g/mol.
Where can I buy C15H11ClN6S?
You can request a quote for C15H11ClN6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H11ClN6S?
Yes, KEHONG BIO provides custom synthesis services for C15H11ClN6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.