A4114/0175361
TL;DR: A4114/0175361 (CAS 1031389-10-2) is a chemical compound with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: A4114/0175361, 4-(1,3-benzodioxol-5-yl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-(1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(3-cyclopropyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2H-1,3-BENZODIOXOL-5-YL)-5-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C15H13N5O2S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 2.92609 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.079 |
| Heavy Atoms | 23 |
| Complexity | 952.9306 |
Chemical Identifiers
| CAS Number | 1031389-10-2 |
|---|---|
| SMILES | C1CC1C2=CC(=NN2)C3=NNC(=S)N3C4=CC5=C(C=C4)OCO5 |
Product Overview
A4114/0175361 (CAS 1031389-10-2), with molecular formula C15H13N5O2S and molecular weight 327.08 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A4114/0175361
Property Insights of A4114/0175361
The XLogP value of 2.92609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4114/0175361. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for A4114/0175361. Following Lipinski's Rule of Five, A4114/0175361 has 2 hydrogen bond donor(s) and 5 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 A4114/0175361?
The CAS number of A4114/0175361 is 1031389-10-2.
What is the molecular formula of A4114/0175361?
The molecular formula of A4114/0175361 is C15H13N5O2S.
What is the molecular weight of A4114/0175361?
The molecular weight of A4114/0175361 is 327.08 g/mol.
Where can I buy A4114/0175361?
You can request a quote for A4114/0175361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4114/0175361?
Yes, KEHONG BIO provides custom synthesis services for A4114/0175361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.