AN-698/42113632
TL;DR: AN-698/42113632 (CAS 663204-13-5) is a chemical compound with molecular formula C24H28N4O2S and molecular weight 436.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3,4-dimethylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: AN-698/42113632, 2-[[4-(3,4-dimethylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone, 2-{[4-(3,4-dimethylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone, 2-[[4-(3,4-dimethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone, 2-{[4-(3,4-DIMETHYLPHENYL)-5-(2-PHENYLETHYL)-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(MORPHOLIN-4-YL)ETHANONE
| Molecular Formula | C24H28N4O2S |
|---|---|
| Molecular Weight | 436.19 g/mol |
| LogP | 3.62024 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.1933 |
| Heavy Atoms | 31 |
| Complexity | 1029.3135 |
Chemical Identifiers
| CAS Number | 663204-13-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4)C |
Product Overview
AN-698/42113632 (CAS 663204-13-5), with molecular formula C24H28N4O2S and molecular weight 436.19 g/mol. IUPAC: 2-[[4-(3,4-dimethylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of AN-698/42113632
Property Insights of AN-698/42113632
The XLogP value of 3.62024 indicates that AN-698/42113632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42113632. Following Lipinski's Rule of Five, AN-698/42113632 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 AN-698/42113632?
The CAS number of AN-698/42113632 is 663204-13-5.
What is the molecular formula of AN-698/42113632?
The molecular formula of AN-698/42113632 is C24H28N4O2S.
What is the molecular weight of AN-698/42113632?
The molecular weight of AN-698/42113632 is 436.19 g/mol.
Where can I buy AN-698/42113632?
You can request a quote for AN-698/42113632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42113632?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42113632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.