C19H17ClN4OS
TL;DR: C19H17ClN4OS (CAS 497950-07-9) is a chemical compound with molecular formula C19H17ClN4OS and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((E)-((Z)-2-chloro-3-phenylallylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H17ClN4OS |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 5.12019 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.08115 |
| Heavy Atoms | 26 |
| Complexity | 974.7786 |
Chemical Identifiers
| CAS Number | 497950-07-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C(=C/C3=CC=CC=C3)/Cl |
Product Overview
C19H17ClN4OS (CAS 497950-07-9), with molecular formula C19H17ClN4OS and molecular weight 384.08 g/mol. IUPAC: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C19H17ClN4OS
Property Insights of C19H17ClN4OS
The XLogP value of 5.12019 indicates that C19H17ClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, C19H17ClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H17ClN4OS has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H17ClN4OS?
The CAS number of C19H17ClN4OS is 497950-07-9.
What is the molecular formula of C19H17ClN4OS?
The molecular formula of C19H17ClN4OS is C19H17ClN4OS.
What is the molecular weight of C19H17ClN4OS?
The molecular weight of C19H17ClN4OS is 384.08 g/mol.
Where can I buy C19H17ClN4OS?
You can request a quote for C19H17ClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H17ClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C19H17ClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.