AN-698/42148157
TL;DR: AN-698/42148157 (CAS 694507-87-4) is a chemical compound with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
Also Known As: AN-698/42148157, 2-{[4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide, 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
| Molecular Formula | C18H18ClN5O2S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.26352 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.08698 |
| Heavy Atoms | 27 |
| Complexity | 932.75635 |
Chemical Identifiers
| CAS Number | 694507-87-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3 |
Product Overview
AN-698/42148157 (CAS 694507-87-4), with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol. IUPAC: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of AN-698/42148157
Property Insights of AN-698/42148157
The XLogP value of 3.26352 indicates that AN-698/42148157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42148157. Following Lipinski's Rule of Five, AN-698/42148157 has 2 hydrogen bond donor(s) and 6 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-698/42148157?
The CAS number of AN-698/42148157 is 694507-87-4.
What is the molecular formula of AN-698/42148157?
The molecular formula of AN-698/42148157 is C18H18ClN5O2S.
What is the molecular weight of AN-698/42148157?
The molecular weight of AN-698/42148157 is 403.09 g/mol.
Where can I buy AN-698/42148157?
You can request a quote for AN-698/42148157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42148157?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42148157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.