A3468/0147019
TL;DR: A3468/0147019 (CAS 696648-26-7) is a chemical compound with molecular formula C13H12ClN5S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: A3468/0147019, 5-[(5-chloro-1H-benzimidazol-2-yl)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-allyl-3-((5-chloro-1H-benzo[d]imidazol-2-yl)methyl)-1H-1,2,4-triazole-5(4H)-thione, 4-ALLYL-5-[(5-CHLORO-1H-1,3-BENZIMIDAZOL-2-YL)METHYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
| Molecular Formula | C13H12ClN5S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.0502 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 696648-26-7 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)CC2=NC3=C(N2)C=C(C=C3)Cl |
| InChIKey | DGIYKLTZTCMAQI-UHFFFAOYSA-N |
Product Overview
A3468/0147019 (CAS 696648-26-7), with molecular formula C13H12ClN5S and molecular weight 305.05 g/mol. IUPAC: 3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A3468/0147019
Property Insights of A3468/0147019
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3468/0147019. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for A3468/0147019. Following Lipinski's Rule of Five, A3468/0147019 has 2 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 A3468/0147019?
The CAS number of A3468/0147019 is 696648-26-7.
What is the molecular formula of A3468/0147019?
The molecular formula of A3468/0147019 is C13H12ClN5S.
What is the molecular weight of A3468/0147019?
The molecular weight of A3468/0147019 is 305.05 g/mol.
Where can I buy A3468/0147019?
You can request a quote for A3468/0147019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3468/0147019?
Yes, KEHONG BIO provides custom synthesis services for A3468/0147019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.