ChemDiv2_004949
TL;DR: ChemDiv2_004949 (CAS 162665-02-3) is a chemical compound with molecular formula C20H16O7 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: ChemDiv2_004949, ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, IDI1_003664, VU0510280-1, AB00683052-01
| Molecular Formula | C20H16O7 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 3.1135 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.0896 |
| Heavy Atoms | 27 |
| Complexity | 1097.4159 |
Chemical Identifiers
| CAS Number | 162665-02-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
ChemDiv2_004949 (CAS 162665-02-3), with molecular formula C20H16O7 and molecular weight 368.09 g/mol. IUPAC: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of ChemDiv2_004949
Property Insights of ChemDiv2_004949
The XLogP value of 3.1135 indicates that ChemDiv2_004949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004949. Following Lipinski's Rule of Five, ChemDiv2_004949 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 ChemDiv2_004949?
The CAS number of ChemDiv2_004949 is 162665-02-3.
What is the molecular formula of ChemDiv2_004949?
The molecular formula of ChemDiv2_004949 is C20H16O7.
What is the molecular weight of ChemDiv2_004949?
The molecular weight of ChemDiv2_004949 is 368.09 g/mol.
Where can I buy ChemDiv2_004949?
You can request a quote for ChemDiv2_004949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004949?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.