ChemDiv1_003372
TL;DR: ChemDiv1_003372 (CAS 312598-77-9) is a chemical compound with molecular formula C28H25NO6 and molecular weight 471.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003372, BAS 02169818, AB00100179-01, 4-methoxybenzyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (4-METHOXYPHENYL)METHYL 2-METHYL-5-OXO-4-(4-OXO-4H-CHROMEN-3-YL)-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C28H25NO6 |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 4.5129 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.16818 |
| Heavy Atoms | 35 |
| Complexity | 1444.299 |
Chemical Identifiers
| CAS Number | 312598-77-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=CC=CC=C4C3=O)C(=O)OCC5=CC=C(C=C5)OC |
Product Overview
ChemDiv1_003372 (CAS 312598-77-9), with molecular formula C28H25NO6 and molecular weight 471.17 g/mol. IUPAC: (4-methoxyphenyl)methyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003372
Property Insights of ChemDiv1_003372
The XLogP value of 4.5129 indicates that ChemDiv1_003372 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_003372. Following Lipinski's Rule of Five, ChemDiv1_003372 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 ChemDiv1_003372?
The CAS number of ChemDiv1_003372 is 312598-77-9.
What is the molecular formula of ChemDiv1_003372?
The molecular formula of ChemDiv1_003372 is C28H25NO6.
What is the molecular weight of ChemDiv1_003372?
The molecular weight of ChemDiv1_003372 is 471.17 g/mol.
Where can I buy ChemDiv1_003372?
You can request a quote for ChemDiv1_003372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003372?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.