A1699/0072387
TL;DR: A1699/0072387 (CAS 312268-08-9) is a chemical compound with molecular formula C26H32N4O2S and molecular weight 464.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: A1699/0072387, 5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione, 5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-((4-cyclohexylphenoxy)methyl)-1-(morpholinomethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione, 3-[(4-CYCLOHEXYLPHENOXY)METHYL]-1-[(MORPHOLIN-4-YL)METHYL]-4-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C26H32N4O2S |
|---|---|
| Molecular Weight | 464.22 g/mol |
| LogP | 5.31969 |
| Topological Polar Surface Area | 44.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.2246 |
| Heavy Atoms | 33 |
| Complexity | 1081.7297 |
Chemical Identifiers
| CAS Number | 312268-08-9 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN(C(=S)N3C4=CC=CC=C4)CN5CCOCC5 |
Product Overview
A1699/0072387 (CAS 312268-08-9), with molecular formula C26H32N4O2S and molecular weight 464.22 g/mol. IUPAC: 5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of A1699/0072387
Property Insights of A1699/0072387
The XLogP value of 5.31969 indicates that A1699/0072387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.45 Ų, A1699/0072387 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1699/0072387 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1699/0072387?
The CAS number of A1699/0072387 is 312268-08-9.
What is the molecular formula of A1699/0072387?
The molecular formula of A1699/0072387 is C26H32N4O2S.
What is the molecular weight of A1699/0072387?
The molecular weight of A1699/0072387 is 464.22 g/mol.
Where can I buy A1699/0072387?
You can request a quote for A1699/0072387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1699/0072387?
Yes, KEHONG BIO provides custom synthesis services for A1699/0072387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.