AQ-088/41086818
TL;DR: AQ-088/41086818 (CAS 500265-74-7) is a chemical compound with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: AQ-088/41086818, N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide, N-(3-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)propionamide, N-[3-[5-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide, N-[3-[5-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]propionamide
| Molecular Formula | C19H21N5O3S |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1365 |
| Heavy Atoms | 28 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 500265-74-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NCC3=CC=CO3 |
| InChIKey | ZWSLSXRKAVJXGJ-UHFFFAOYSA-N |
Product Overview
AQ-088/41086818 (CAS 500265-74-7), with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol. IUPAC: N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of AQ-088/41086818
Property Insights of AQ-088/41086818
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-088/41086818. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41086818. Following Lipinski's Rule of Five, AQ-088/41086818 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 AQ-088/41086818?
The CAS number of AQ-088/41086818 is 500265-74-7.
What is the molecular formula of AQ-088/41086818?
The molecular formula of AQ-088/41086818 is C19H21N5O3S.
What is the molecular weight of AQ-088/41086818?
The molecular weight of AQ-088/41086818 is 399.14 g/mol.
Where can I buy AQ-088/41086818?
You can request a quote for AQ-088/41086818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086818?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.