ChemDiv3_006959
TL;DR: ChemDiv3_006959 (CAS 637747-30-9) is a chemical compound with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate
Also Known As: ChemDiv3_006959, IDI1_024869, ethyl 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate, BRD-K68796973-001-01-8, F3139-0583
| Molecular Formula | C25H28N2O6 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.0983 |
| Topological Polar Surface Area | 92.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.19473 |
| Heavy Atoms | 33 |
| Complexity | 1210.2797 |
Chemical Identifiers
| CAS Number | 637747-30-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C)C4=CC=C(C=C4)OC |
Product Overview
ChemDiv3_006959 (CAS 637747-30-9), with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol. IUPAC: ethyl 7-hydroxy-3-(4-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate.
Chemical Property Profile of ChemDiv3_006959
Property Insights of ChemDiv3_006959
The XLogP value of 3.0983 indicates that ChemDiv3_006959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006959. Following Lipinski's Rule of Five, ChemDiv3_006959 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 ChemDiv3_006959?
The CAS number of ChemDiv3_006959 is 637747-30-9.
What is the molecular formula of ChemDiv3_006959?
The molecular formula of ChemDiv3_006959 is C25H28N2O6.
What is the molecular weight of ChemDiv3_006959?
The molecular weight of ChemDiv3_006959 is 452.19 g/mol.
Where can I buy ChemDiv3_006959?
You can request a quote for ChemDiv3_006959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006959?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.