4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
TL;DR: 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CAS 727666-98-0) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Also Known As: BAS 12519859, 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione, A3743/0158622, 4-(4-Methoxy-phenyl)-4,6,7,8-tetrahydro-1H,3H-quinoline-2,5-dione, 4-(4-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.3058 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 586.2445 |
Chemical Identifiers
| CAS Number | 727666-98-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=O)CCC3 |
Product Overview
4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CAS 727666-98-0), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
Chemical Property Profile of 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Property Insights of 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
The XLogP value of 2.3058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(4-Methoxyphenyl)-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-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has 1 hydrogen bond donor(s) and 3 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-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The CAS number of 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is 727666-98-0.
What is the molecular formula of 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The molecular formula of 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is C16H17NO3.
What is the molecular weight of 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The molecular weight of 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is 271.12 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
You can request a quote for 4-(4-Methoxyphenyl)-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-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.