Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate
TL;DR: Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate (CAS 4394-77-8) is a chemical compound with molecular formula C14H15Cl2O6P and molecular weight 380.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) (4-methyl-2-oxochromen-7-yl) phosphate
Also Known As: 86H 60, 86H-60, bis(2-chloroethyl) (4-methyl-2-oxochromen-7-yl) phosphate, Phosphoric acid, bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, COUMARIN, 7-HYDROXY-4-METHYL-, BIS(2-CHLOROETHYL) PHOSPHATE
| Molecular Formula | C14H15Cl2O6P |
|---|---|
| Molecular Weight | 380.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.99832 |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 4394-77-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCl)OCCCl |
| InChIKey | JIRVRDYVMCZPLS-UHFFFAOYSA-N |
Product Overview
Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate (CAS 4394-77-8), with molecular formula C14H15Cl2O6P and molecular weight 380.00 g/mol. IUPAC: bis(2-chloroethyl) (4-methyl-2-oxochromen-7-yl) phosphate.
Chemical Property Profile of Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate
Property Insights of Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate. Following Lipinski's Rule of Five, Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl 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 Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate?
The CAS number of Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate is 4394-77-8.
What is the molecular formula of Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate?
The molecular formula of Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate is C14H15Cl2O6P.
What is the molecular weight of Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate?
The molecular weight of Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate is 380.00 g/mol.
Where can I buy Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate?
You can request a quote for Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.