IFLab1_005315
TL;DR: IFLab1_005315 (CAS 799795-16-7) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
Also Known As: IFLab1_005315, BAS 11177187, IDI1_010718, isopropyl 2-((3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate, (3-Cyano-4-furan-2-yl-5-oxo-1,4,5,6,7,8-hexahydro-quinolin-2-ylsulfanyl)-acetic
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.39348 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 815.09216 |
Chemical Identifiers
| CAS Number | 799795-16-7 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CO3)C#N |
Product Overview
IFLab1_005315 (CAS 799795-16-7), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: propan-2-yl 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of IFLab1_005315
Property Insights of IFLab1_005315
The XLogP value of 3.39348 indicates that IFLab1_005315 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005315. Following Lipinski's Rule of Five, IFLab1_005315 has 1 hydrogen bond donor(s) and 7 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 IFLab1_005315?
The CAS number of IFLab1_005315 is 799795-16-7.
What is the molecular formula of IFLab1_005315?
The molecular formula of IFLab1_005315 is C19H20N2O4S.
What is the molecular weight of IFLab1_005315?
The molecular weight of IFLab1_005315 is 372.11 g/mol.
Where can I buy IFLab1_005315?
You can request a quote for IFLab1_005315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005315?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.