3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate
TL;DR: 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate (CAS 4467-21-4) is a chemical compound with molecular formula C16H18Cl3O6P and molecular weight 441.99 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(3-chloropropyl) phosphate
Also Known As: 3-Chloro-7-hydroxy-4-methylcoumarin bis(3-chloropropyl) phosphate, COUMARIN, 3-CHLORO-7-HYDROXY-4-METHYL-, BIS(3-CHLOROPROPYL) PHOSPHATE, (3-chloro-4-methyl-2-oxochromen-7-yl) bis(3-chloropropyl) phosphate, 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl bis(3-chloropropyl) phosphate
| Molecular Formula | C16H18Cl3O6P |
|---|---|
| Molecular Weight | 441.99 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.99066 |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 4467-21-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCCl)OCCCCl)Cl |
| InChIKey | DLPJKVIZJBVNNT-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate (CAS 4467-21-4), with molecular formula C16H18Cl3O6P and molecular weight 441.99 g/mol. IUPAC: (3-chloro-4-methyl-2-oxochromen-7-yl) bis(3-chloropropyl) phosphate.
Chemical Property Profile of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate
Property Insights of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate
The XLogP value of 4.0 indicates that 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) 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(3-chloropropyl) phosphate. Following Lipinski's Rule of Five, 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) 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 bis(3-chloropropyl) phosphate?
The CAS number of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate is 4467-21-4.
What is the molecular formula of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate?
The molecular formula of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate is C16H18Cl3O6P.
What is the molecular weight of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate?
The molecular weight of 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate is 441.99 g/mol.
Where can I buy 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate?
You can request a quote for 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) 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(3-chloropropyl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(3-chloropropyl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.