RefChem:282964
TL;DR: RefChem:282964 (CAS 115398-71-5) is a chemical compound with molecular formula C11H13ClN4OS and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-4-amino-5-(1-(4-chloro-2-methylphenoxy)ethyl)-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-(1-(4-chloro-2-methylphenoxy)ethyl)-, 4-amino-3-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione, 4,4-Diethoxy-9-oxo-3,10-dioxa-8-aza-4-siladodecan-12-yl methacrylate, 4-Amino-5-[1-(4-chloro-2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H13ClN4OS |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 2.75631 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.04987 |
| Heavy Atoms | 18 |
| Complexity | 621.74603 |
Chemical Identifiers
| CAS Number | 115398-71-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C2=NNC(=S)N2N |
Product Overview
RefChem:282964 (CAS 115398-71-5), with molecular formula C11H13ClN4OS and molecular weight 284.05 g/mol. IUPAC: 4-amino-3-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:282964
Property Insights of RefChem:282964
The XLogP value of 2.75631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:282964. The TPSA of 68.86 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:282964. Following Lipinski's Rule of Five, RefChem:282964 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 RefChem:282964?
The CAS number of RefChem:282964 is 115398-71-5.
What is the molecular formula of RefChem:282964?
The molecular formula of RefChem:282964 is C11H13ClN4OS.
What is the molecular weight of RefChem:282964?
The molecular weight of RefChem:282964 is 284.05 g/mol.
Where can I buy RefChem:282964?
You can request a quote for RefChem:282964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:282964?
Yes, KEHONG BIO provides custom synthesis services for RefChem:282964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.