ChemDiv1_018184
TL;DR: ChemDiv1_018184 (CAS 347313-58-0) is a chemical compound with molecular formula C31H31NO6 and molecular weight 513.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_018184, BIM-0015035.P001, 4-methoxybenzyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (4-METHOXYPHENYL)METHYL 2,7,7-TRIMETHYL-4-(6-METHYL-4-OXO-4H-CHROMEN-3-YL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1 ,4,6,7,8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C31H31NO6 |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 5.45742 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.21515 |
| Heavy Atoms | 38 |
| Complexity | 1572.1477 |
Chemical Identifiers
| CAS Number | 347313-58-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OCC5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv1_018184 (CAS 347313-58-0), with molecular formula C31H31NO6 and molecular weight 513.22 g/mol. IUPAC: (4-methoxyphenyl)methyl 2,7,7-trimethyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_018184
Property Insights of ChemDiv1_018184
The XLogP value of 5.45742 indicates that ChemDiv1_018184 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018184. Following Lipinski's Rule of Five, ChemDiv1_018184 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018184?
The CAS number of ChemDiv1_018184 is 347313-58-0.
What is the molecular formula of ChemDiv1_018184?
The molecular formula of ChemDiv1_018184 is C31H31NO6.
What is the molecular weight of ChemDiv1_018184?
The molecular weight of ChemDiv1_018184 is 513.22 g/mol.
Where can I buy ChemDiv1_018184?
You can request a quote for ChemDiv1_018184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018184?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.