A2685/0114481
TL;DR: A2685/0114481 (CAS 129573-98-4) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(morpholin-4-ylmethyl)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: A2685/0114481, 2-(morpholin-4-ylmethyl)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione, 2-(morpholin-4-ylmethyl)-5-(phenoxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 2-Morpholin-4-ylmethyl-5-phenoxymethyl-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione, 1-(morpholinomethyl)-3-(phenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 129573-98-4 |
|---|---|
| SMILES | C1COCCN1CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | VKACBPCRTJYXQH-UHFFFAOYSA-N |
Product Overview
A2685/0114481 (CAS 129573-98-4), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 2-(morpholin-4-ylmethyl)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of A2685/0114481
Property Insights of A2685/0114481
The XLogP value of 3.2 indicates that A2685/0114481 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for A2685/0114481. Following Lipinski's Rule of Five, A2685/0114481 has 0 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 A2685/0114481?
The CAS number of A2685/0114481 is 129573-98-4.
What is the molecular formula of A2685/0114481?
The molecular formula of A2685/0114481 is C20H22N4O2S.
What is the molecular weight of A2685/0114481?
The molecular weight of A2685/0114481 is 382.15 g/mol.
Where can I buy A2685/0114481?
You can request a quote for A2685/0114481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2685/0114481?
Yes, KEHONG BIO provides custom synthesis services for A2685/0114481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.