1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide
TL;DR: 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide (CAS 97159-71-2) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(phenylcarbamothioyl)hydrazinyl]benzoic acid
Also Known As: 1-(4-CARBOXYPHENYL)-4-PHENYL-3-THIOSEMICARBAZIDE, 1-(4-Carboxyphenyl)-4-phenylthiosemicarbazide, J2.605.825B, 4-(2-(phenylthiocarbamoyl)hydrazinyl)benzoic Acid, 4-[2-(phenylcarbamothioyl)hydrazinyl]benzoic acid
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.6983 |
| Topological Polar Surface Area | 73.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 599.5759 |
Chemical Identifiers
| CAS Number | 97159-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC2=CC=C(C=C2)C(=O)O |
Product Overview
1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide (CAS 97159-71-2), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 4-[2-(phenylcarbamothioyl)hydrazinyl]benzoic acid.
Chemical Property Profile of 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide
Property Insights of 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide
The XLogP value of 2.6983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide. The TPSA of 73.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide. Following Lipinski's Rule of Five, 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide has 4 hydrogen bond donor(s) and 3 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 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide?
The CAS number of 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide is 97159-71-2.
What is the molecular formula of 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide?
The molecular formula of 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide is C14H13N3O2S.
What is the molecular weight of 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide?
The molecular weight of 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide is 287.07 g/mol.
Where can I buy 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide?
You can request a quote for 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Carboxyphenyl)-4-phenyl-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.