二乙基伞形酮磷酸酯
TL;DR: 二乙基伞形酮磷酸酯 (CAS 897-83-6) is a chemical compound with molecular formula C14H17O6P and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙基伞形酮磷酸酯
diethyl (4-methyl-2-oxochromen-7-yl) phosphate
Also Known As: Diethylumbelliferyl phosphate, DUBP, 7-Hydroxy-4-methylcoumarin diethylphosphate, diethyl (4-methyl-2-oxochromen-7-yl) phosphate, COUMARIN, 7-HYDROXY-4-METHYL-, DIETHYLPHOSPHATE
| Molecular Formula | C14H17O6P |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.07626 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 897-83-6 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | GHGRYKAFUNNHBG-UHFFFAOYSA-N |
Product Overview
二乙基伞形酮磷酸酯 (CAS 897-83-6), with molecular formula C14H17O6P and molecular weight 312.08 g/mol. IUPAC: diethyl (4-methyl-2-oxochromen-7-yl) phosphate.
Chemical Property Profile of 二乙基伞形酮磷酸酯
Property Insights of 二乙基伞形酮磷酸酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙基伞形酮磷酸酯. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 二乙基伞形酮磷酸酯. Following Lipinski's Rule of Five, 二乙基伞形酮磷酸酯 has 0 hydrogen bond donor(s) and 6 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 二乙基伞形酮磷酸酯?
The CAS number of 二乙基伞形酮磷酸酯 is 897-83-6.
What is the molecular formula of 二乙基伞形酮磷酸酯?
The molecular formula of 二乙基伞形酮磷酸酯 is C14H17O6P.
What is the molecular weight of 二乙基伞形酮磷酸酯?
The molecular weight of 二乙基伞形酮磷酸酯 is 312.08 g/mol.
Where can I buy 二乙基伞形酮磷酸酯?
You can request a quote for 二乙基伞形酮磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙基伞形酮磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二乙基伞形酮磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.