VU0497587-1
TL;DR: VU0497587-1 (CAS 942006-96-4) is a chemical compound with molecular formula C18H21ClN2O3S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,2-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
Also Known As: VU0497587-1, F2770-0149, 3-chloro-2,2-dimethyl-N-[1-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]propanamide, 3-chloro-2,2-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide, 3-chloro-2,2-dimethyl-N-(1-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)propanamide
| Molecular Formula | C18H21ClN2O3S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 4.0931 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0682 |
| Heavy Atoms | 26 |
| Complexity | 908.52234 |
Chemical Identifiers
| CAS Number | 942006-96-4 |
|---|---|
| SMILES | CC(C)(CCl)C(=O)NC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=CS3 |
Product Overview
VU0497587-1 (CAS 942006-96-4), with molecular formula C18H21ClN2O3S2 and molecular weight 412.07 g/mol. IUPAC: 3-chloro-2,2-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide.
Chemical Property Profile of VU0497587-1
Property Insights of VU0497587-1
The XLogP value of 4.0931 indicates that VU0497587-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0497587-1. Following Lipinski's Rule of Five, VU0497587-1 has 1 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 VU0497587-1?
The CAS number of VU0497587-1 is 942006-96-4.
What is the molecular formula of VU0497587-1?
The molecular formula of VU0497587-1 is C18H21ClN2O3S2.
What is the molecular weight of VU0497587-1?
The molecular weight of VU0497587-1 is 412.07 g/mol.
Where can I buy VU0497587-1?
You can request a quote for VU0497587-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0497587-1?
Yes, KEHONG BIO provides custom synthesis services for VU0497587-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.