AQ-088/41137974
TL;DR: AQ-088/41137974 (CAS 511307-66-7) is a chemical compound with molecular formula C19H25N5O3S and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-methyl-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: AQ-088/41137974, N-{4-[4-methyl-5-({2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}propanamide, N-(4-(4-methyl-5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)propionamide, N-[4-[4-methyl-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
| Molecular Formula | C19H25N5O3S |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.16782 |
| Heavy Atoms | 28 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 511307-66-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NCC3CCCO3 |
| InChIKey | PZWLTIKBHNNJHX-UHFFFAOYSA-N |
Product Overview
AQ-088/41137974 (CAS 511307-66-7), with molecular formula C19H25N5O3S and molecular weight 403.17 g/mol. IUPAC: N-[4-[4-methyl-5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of AQ-088/41137974
Property Insights of AQ-088/41137974
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-088/41137974. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137974. Following Lipinski's Rule of Five, AQ-088/41137974 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-088/41137974?
The CAS number of AQ-088/41137974 is 511307-66-7.
What is the molecular formula of AQ-088/41137974?
The molecular formula of AQ-088/41137974 is C19H25N5O3S.
What is the molecular weight of AQ-088/41137974?
The molecular weight of AQ-088/41137974 is 403.17 g/mol.
Where can I buy AQ-088/41137974?
You can request a quote for AQ-088/41137974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137974?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.