C19H18ClN5S
TL;DR: C19H18ClN5S (CAS 613250-91-2) is a chemical compound with molecular formula C19H18ClN5S and molecular weight 383.10 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-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((3Z,1E)-3-chloro-4-phenyl-1-azabuta-1,3-dienyl)-5-[4-(dimethylamino)phenyl] -1,2,4-triazole-3-thiol, 4-((E)-((Z)-2-chloro-3-phenylallylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]amino}-5-[4-(dimethylamino)phenyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C19H18ClN5S |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 4.78749 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.09714 |
| Heavy Atoms | 26 |
| Complexity | 984.77386 |
Chemical Identifiers
| CAS Number | 613250-91-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C(=C/C3=CC=CC=C3)/Cl |
Product Overview
C19H18ClN5S (CAS 613250-91-2), with molecular formula C19H18ClN5S and molecular weight 383.10 g/mol. IUPAC: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C19H18ClN5S
Property Insights of C19H18ClN5S
The XLogP value of 4.78749 indicates that C19H18ClN5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.21 Ų, C19H18ClN5S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H18ClN5S has 1 hydrogen bond donor(s) and 4 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 C19H18ClN5S?
The CAS number of C19H18ClN5S is 613250-91-2.
What is the molecular formula of C19H18ClN5S?
The molecular formula of C19H18ClN5S is C19H18ClN5S.
What is the molecular weight of C19H18ClN5S?
The molecular weight of C19H18ClN5S is 383.10 g/mol.
Where can I buy C19H18ClN5S?
You can request a quote for C19H18ClN5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18ClN5S?
Yes, KEHONG BIO provides custom synthesis services for C19H18ClN5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.