1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol
TL;DR: 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol (CAS 634166-57-7) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)butanoic acid
Also Known As: CBKinase1_005884, CBKinase1_018284, ZERO/005102, 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol, BAS 07324675
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.59419 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 577.9841 |
Chemical Identifiers
| CAS Number | 634166-57-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)CN2C(=S)N=NN2 |
Product Overview
1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol (CAS 634166-57-7), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: 3-phenyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)butanoic acid.
Chemical Property Profile of 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol
Property Insights of 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol
The XLogP value of 1.59419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol has 2 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 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol?
The CAS number of 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol is 634166-57-7.
What is the molecular formula of 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol is C11H12N4O2S.
What is the molecular weight of 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol is 264.07 g/mol.
Where can I buy 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Carboxy-2-phenylpropyl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.