AN-698/41761690
TL;DR: AN-698/41761690 (CAS 665016-99-9) is a chemical compound with molecular formula C19H22N6O3S2 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
Also Known As: AN-698/41761690, 2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide, 2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-thiazol-2-ylacetamide, N-[[4-ethyl-5-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
| Molecular Formula | C19H22N6O3S2 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 2.3528 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.11948 |
| Heavy Atoms | 30 |
| Complexity | 972.83356 |
Chemical Identifiers
| CAS Number | 665016-99-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)CNC(=O)CC3=CC=C(C=C3)OC |
Product Overview
AN-698/41761690 (CAS 665016-99-9), with molecular formula C19H22N6O3S2 and molecular weight 446.12 g/mol. IUPAC: N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of AN-698/41761690
Property Insights of AN-698/41761690
The XLogP value of 2.3528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/41761690. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41761690. Following Lipinski's Rule of Five, AN-698/41761690 has 2 hydrogen bond donor(s) and 8 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-698/41761690?
The CAS number of AN-698/41761690 is 665016-99-9.
What is the molecular formula of AN-698/41761690?
The molecular formula of AN-698/41761690 is C19H22N6O3S2.
What is the molecular weight of AN-698/41761690?
The molecular weight of AN-698/41761690 is 446.12 g/mol.
Where can I buy AN-698/41761690?
You can request a quote for AN-698/41761690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41761690?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41761690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.