MixCom6_001951
TL;DR: MixCom6_001951 (CAS 313244-24-5) is a chemical compound with molecular formula C29H31NO6 and molecular weight 489.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: MixCom6_001951, BAS 00915199, BIM-0032000.P001, benzyl 4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C29H31NO6 |
|---|---|
| Molecular Weight | 489.22 g/mol |
| LogP | 4.9679 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.21515 |
| Heavy Atoms | 36 |
| Complexity | 1271.9246 |
Chemical Identifiers
| CAS Number | 313244-24-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)OCC4=CC=CC=C4 |
Product Overview
MixCom6_001951 (CAS 313244-24-5), with molecular formula C29H31NO6 and molecular weight 489.22 g/mol. IUPAC: benzyl 4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of MixCom6_001951
Property Insights of MixCom6_001951
The XLogP value of 4.9679 indicates that MixCom6_001951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001951. Following Lipinski's Rule of Five, MixCom6_001951 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 MixCom6_001951?
The CAS number of MixCom6_001951 is 313244-24-5.
What is the molecular formula of MixCom6_001951?
The molecular formula of MixCom6_001951 is C29H31NO6.
What is the molecular weight of MixCom6_001951?
The molecular weight of MixCom6_001951 is 489.22 g/mol.
Where can I buy MixCom6_001951?
You can request a quote for MixCom6_001951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001951?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.