Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate
TL;DR: Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate (CAS 14663-66-2) is a chemical compound with molecular formula C18H24ClO6P and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate
Also Known As: 3-Chloro-7-hydroxy-4-methylcoumarin dibutyl phosphate, dibutyl (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate, COUMARIN, 3-CHLORO-7-HYDROXY-4-METHYL-, DIBUTYL PHOSPHATE, Phosphoric acid 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yldibutyl ester, dibutyl 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl phosphate
| Molecular Formula | C18H24ClO6P |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 402.0999 |
| Heavy Atoms | 26 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 14663-66-2 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C |
| InChIKey | MZJWBPPRJLFUOG-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate (CAS 14663-66-2), with molecular formula C18H24ClO6P and molecular weight 402.10 g/mol. IUPAC: dibutyl (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate.
Chemical Property Profile of Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate
Property Insights of Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate
The XLogP value of 4.6 indicates that Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate. Following Lipinski's Rule of Five, Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate 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 Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate?
The CAS number of Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate is 14663-66-2.
What is the molecular formula of Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate?
The molecular formula of Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate is C18H24ClO6P.
What is the molecular weight of Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate?
The molecular weight of Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate is 402.10 g/mol.
Where can I buy Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate?
You can request a quote for Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-chloro-7-hydroxy-4-methyl-, dibutyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.