3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate
TL;DR: 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate (CAS 14663-70-8) is a chemical compound with molecular formula C16H16Cl5O6P and molecular weight 509.91 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) bis(2,3-dichloropropyl) phosphate
Also Known As: 3-Chloro-7-hydroxy-4-methylcoumarin bis(2,3-dichloropropyl)phosphate, Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(2,3-dichloropropyl)phosphate, 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate, Phosphoric acid, bis(2,3-dichloropropyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, (3-chloro-4-methyl-2-oxochromen-7-yl) bis(2,3-dichloropropyl) phosphate
| Molecular Formula | C16H16Cl5O6P |
|---|---|
| Molecular Weight | 509.91 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 | 509.91272 |
| Heavy Atoms | 28 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 14663-70-8 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCC(CCl)Cl)OCC(CCl)Cl)Cl |
| InChIKey | WUBZDUFGMMDHBA-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate (CAS 14663-70-8), with molecular formula C16H16Cl5O6P and molecular weight 509.91 g/mol. IUPAC: (3-chloro-4-methyl-2-oxochromen-7-yl) bis(2,3-dichloropropyl) phosphate.
Chemical Property Profile of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate
Property Insights of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate
The XLogP value of 4.6 indicates that 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) 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 bis(2,3-dichloropropyl) phosphate. Following Lipinski's Rule of Five, 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate?
The CAS number of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate is 14663-70-8.
What is the molecular formula of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate?
The molecular formula of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate is C16H16Cl5O6P.
What is the molecular weight of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate?
The molecular weight of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate is 509.91 g/mol.
Where can I buy 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate?
You can request a quote for 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) 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 bis(2,3-dichloropropyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2,3-dichloropropyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.