4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
TL;DR: 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 430451-29-9) is a chemical compound with molecular formula C18H15ClN4OS and molecular weight 370.07 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-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-((E)-((Z)-2-chloro-3-phenylallylidene)amino)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(2-chloro-3-phenyl-2-propen-1-ylidene)amino]-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H15ClN4OS |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 4.73009 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.06552 |
| Heavy Atoms | 25 |
| Complexity | 958.7461 |
Chemical Identifiers
| CAS Number | 430451-29-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C(=C/C3=CC=CC=C3)/Cl |
Product Overview
4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL (CAS 430451-29-9), with molecular formula C18H15ClN4OS and molecular weight 370.07 g/mol. IUPAC: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
Property Insights of 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL
The XLogP value of 4.73009 indicates that 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL 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 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
The CAS number of 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL is 430451-29-9.
What is the molecular formula of 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular formula of 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL is C18H15ClN4OS.
What is the molecular weight of 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
The molecular weight of 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL is 370.07 g/mol.
Where can I buy 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
You can request a quote for 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(4-METHOXY-PH)-4H-1,2,4-TRIAZOLE-3-THIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.