AQ-088/41138107
TL;DR: AQ-088/41138107 (CAS 500266-49-9) is a chemical compound with molecular formula C20H27N5O2S and molecular weight 401.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: AQ-088/41138107, N-[4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]propanamide, N-[4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
| Molecular Formula | C20H27N5O2S |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 3.3716 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.18854 |
| Heavy Atoms | 28 |
| Complexity | 812.5036 |
Chemical Identifiers
| CAS Number | 500266-49-9 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCCC3 |
Product Overview
AQ-088/41138107 (CAS 500266-49-9), with molecular formula C20H27N5O2S and molecular weight 401.19 g/mol. IUPAC: N-[4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of AQ-088/41138107
Property Insights of AQ-088/41138107
The XLogP value of 3.3716 indicates that AQ-088/41138107 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 AQ-088/41138107. Following Lipinski's Rule of Five, AQ-088/41138107 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 AQ-088/41138107?
The CAS number of AQ-088/41138107 is 500266-49-9.
What is the molecular formula of AQ-088/41138107?
The molecular formula of AQ-088/41138107 is C20H27N5O2S.
What is the molecular weight of AQ-088/41138107?
The molecular weight of AQ-088/41138107 is 401.19 g/mol.
Where can I buy AQ-088/41138107?
You can request a quote for AQ-088/41138107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41138107?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41138107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.