AN-698/42588004
TL;DR: AN-698/42588004 (CAS 701276-34-8) is a chemical compound with molecular formula C26H31N5O2S and molecular weight 477.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide
Also Known As: AN-698/42588004, N-[1-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide, N-[1-(4-allyl-5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-3-methylbenzamide
| Molecular Formula | C26H31N5O2S |
|---|---|
| Molecular Weight | 477.22 g/mol |
| LogP | 4.30812 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 477.21985 |
| Heavy Atoms | 34 |
| Complexity | 1127.2295 |
Chemical Identifiers
| CAS Number | 701276-34-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C2=NN=C(N2CC=C)SCC(=O)NCC3=CC=CC=C3)C(C)C |
Product Overview
AN-698/42588004 (CAS 701276-34-8), with molecular formula C26H31N5O2S and molecular weight 477.22 g/mol. IUPAC: N-[1-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide.
Chemical Property Profile of AN-698/42588004
Property Insights of AN-698/42588004
The XLogP value of 4.30812 indicates that AN-698/42588004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42588004. Following Lipinski's Rule of Five, AN-698/42588004 has 2 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-698/42588004?
The CAS number of AN-698/42588004 is 701276-34-8.
What is the molecular formula of AN-698/42588004?
The molecular formula of AN-698/42588004 is C26H31N5O2S.
What is the molecular weight of AN-698/42588004?
The molecular weight of AN-698/42588004 is 477.22 g/mol.
Where can I buy AN-698/42588004?
You can request a quote for AN-698/42588004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42588004?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42588004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.