VU0497513-1
TL;DR: VU0497513-1 (CAS 899735-69-4) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
Also Known As: VU0497513-1, F2769-0342, N-(3-methylbutyl)-N'-[1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]ethanediamide, N-(3-methylbutyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide, N1-isopentyl-N2-(1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl)oxalamide
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 3.4419 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 861.7857 |
Chemical Identifiers
| CAS Number | 899735-69-4 |
|---|---|
| SMILES | CC(C)CCNC(=O)C(=O)NC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=CS3 |
Product Overview
VU0497513-1 (CAS 899735-69-4), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: N-(3-methylbutyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.
Chemical Property Profile of VU0497513-1
Property Insights of VU0497513-1
The XLogP value of 3.4419 indicates that VU0497513-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0497513-1. Following Lipinski's Rule of Five, VU0497513-1 has 2 hydrogen bond donor(s) and 4 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 VU0497513-1?
The CAS number of VU0497513-1 is 899735-69-4.
What is the molecular formula of VU0497513-1?
The molecular formula of VU0497513-1 is C21H25N3O3S.
What is the molecular weight of VU0497513-1?
The molecular weight of VU0497513-1 is 399.16 g/mol.
Where can I buy VU0497513-1?
You can request a quote for VU0497513-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0497513-1?
Yes, KEHONG BIO provides custom synthesis services for VU0497513-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.