3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate
TL;DR: 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate (CAS 14663-67-3) is a chemical compound with molecular formula C16H20ClO6P and molecular weight 374.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methyl-2-oxochromen-7-yl) dipropyl phosphate
Also Known As: 3-Chloro-7-hydroxy-4-methylcoumarin dipropyl phosphate, (3-chloro-4-methyl-2-oxochromen-7-yl) dipropyl phosphate, COUMARIN, 3-CHLORO-7-HYDROXY-4-METHYL-, DIPROPYL PHOSPHATE, 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate, Phosphoric acid 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yldipropyl ester
| Molecular Formula | C16H20ClO6P |
|---|---|
| Molecular Weight | 374.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.0686 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 14663-67-3 |
|---|---|
| SMILES | CCCOP(=O)(OCCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C |
| InChIKey | HJZUCUDWNHJSKD-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate (CAS 14663-67-3), with molecular formula C16H20ClO6P and molecular weight 374.07 g/mol. IUPAC: (3-chloro-4-methyl-2-oxochromen-7-yl) dipropyl phosphate.
Chemical Property Profile of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate
Property Insights of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate
The XLogP value of 3.9 indicates that 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl 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 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate. Following Lipinski's Rule of Five, 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl 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 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate?
The CAS number of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate is 14663-67-3.
What is the molecular formula of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate?
The molecular formula of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate is C16H20ClO6P.
What is the molecular weight of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate?
The molecular weight of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate is 374.07 g/mol.
Where can I buy 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate?
You can request a quote for 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl dipropyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.