AN-698/41761232
TL;DR: AN-698/41761232 (CAS 665016-79-5) is a chemical compound with molecular formula C20H21IN4O2S and molecular weight 508.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodo-2-methylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-698/41761232, N-(4-iodo-2-methylphenyl)-2-{[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-iodo-2-methylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H21IN4O2S |
|---|---|
| Molecular Weight | 508.04 g/mol |
| LogP | 4.05832 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.043 |
| Heavy Atoms | 28 |
| Complexity | 972.8371 |
Chemical Identifiers
| CAS Number | 665016-79-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)CC3=CC=C(C=C3)OC |
Product Overview
AN-698/41761232 (CAS 665016-79-5), with molecular formula C20H21IN4O2S and molecular weight 508.04 g/mol. IUPAC: N-(4-iodo-2-methylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-698/41761232
Property Insights of AN-698/41761232
The XLogP value of 4.05832 indicates that AN-698/41761232 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41761232. Following Lipinski's Rule of Five, AN-698/41761232 has 1 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 AN-698/41761232?
The CAS number of AN-698/41761232 is 665016-79-5.
What is the molecular formula of AN-698/41761232?
The molecular formula of AN-698/41761232 is C20H21IN4O2S.
What is the molecular weight of AN-698/41761232?
The molecular weight of AN-698/41761232 is 508.04 g/mol.
Where can I buy AN-698/41761232?
You can request a quote for AN-698/41761232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41761232?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41761232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.