4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
TL;DR: 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CAS 727666-67-3) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Also Known As: 4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione, 4-(3-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, A3742/0158591, 4-(3-METHYLPHENYL)-1,2,3,4,5,6,7,8-OCTAHYDROQUINOLINE-2,5-DIONE
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.60562 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 586.1667 |
Chemical Identifiers
| CAS Number | 727666-67-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2CC(=O)NC3=C2C(=O)CCC3 |
Product Overview
4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CAS 727666-67-3), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
Chemical Property Profile of 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Property Insights of 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
The XLogP value of 2.60562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has 1 hydrogen bond donor(s) and 2 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 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The CAS number of 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is 727666-67-3.
What is the molecular formula of 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The molecular formula of 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is C16H17NO2.
What is the molecular weight of 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The molecular weight of 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is 255.13 g/mol.
Where can I buy 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
You can request a quote for 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.