ChemDiv2_005035
TL;DR: ChemDiv2_005035 (CAS 610759-93-8) is a chemical compound with molecular formula C27H31NO7 and molecular weight 481.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate
Also Known As: ChemDiv2_005035, IDI1_003750, ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-((2-methylpiperidin-1-yl)methyl)-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate
| Molecular Formula | C27H31NO7 |
|---|---|
| Molecular Weight | 481.21 g/mol |
| LogP | 4.7339 |
| Topological Polar Surface Area | 98.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.21005 |
| Heavy Atoms | 35 |
| Complexity | 1296.9099 |
Chemical Identifiers
| CAS Number | 610759-93-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3C)C4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv2_005035 (CAS 610759-93-8), with molecular formula C27H31NO7 and molecular weight 481.21 g/mol. IUPAC: ethyl 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate.
Chemical Property Profile of ChemDiv2_005035
Property Insights of ChemDiv2_005035
The XLogP value of 4.7339 indicates that ChemDiv2_005035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005035. Following Lipinski's Rule of Five, ChemDiv2_005035 has 1 hydrogen bond donor(s) and 8 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 ChemDiv2_005035?
The CAS number of ChemDiv2_005035 is 610759-93-8.
What is the molecular formula of ChemDiv2_005035?
The molecular formula of ChemDiv2_005035 is C27H31NO7.
What is the molecular weight of ChemDiv2_005035?
The molecular weight of ChemDiv2_005035 is 481.21 g/mol.
Where can I buy ChemDiv2_005035?
You can request a quote for ChemDiv2_005035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005035?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.