Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate
TL;DR: Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate (CAS 14745-61-0) is a chemical compound with molecular formula C18H22Cl3O6P and molecular weight 470.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-chlorobutyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate
Also Known As: Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate, 3-Chloro-7-hydroxy-4-methylcoumarin bis(4-chlorobutyl)phosphate, bis(4-chlorobutyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate, Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, 7-[BIS(4-CHLOROBUTOXY)PHOSPHORYLOXY]-3-CHLORO-4-METHYL-CHROMEN-2-ONE
| Molecular Formula | C18H22Cl3O6P |
|---|---|
| Molecular Weight | 470.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 470.02197 |
| Heavy Atoms | 28 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 14745-61-0 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCCCl)OCCCCCl)Cl |
| InChIKey | MPSBJALJTVPVHN-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate (CAS 14745-61-0), with molecular formula C18H22Cl3O6P and molecular weight 470.02 g/mol. IUPAC: bis(4-chlorobutyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate.
Chemical Property Profile of Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate
Property Insights of Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate
The XLogP value of 4.7 indicates that Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)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-, bis(4-chlorobutyl)phosphate. Following Lipinski's Rule of Five, Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)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-, bis(4-chlorobutyl)phosphate?
The CAS number of Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate is 14745-61-0.
What is the molecular formula of Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate?
The molecular formula of Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate is C18H22Cl3O6P.
What is the molecular weight of Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate?
The molecular weight of Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate is 470.02 g/mol.
Where can I buy Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate?
You can request a quote for Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)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-, bis(4-chlorobutyl)phosphate?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.