Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt
TL;DR: Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt (CAS 6465-91-4) is a chemical compound with molecular formula C6H8CaCl4O8P2 and molecular weight 449.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2,2-dichloroethenyl methyl phosphate)
Also Known As: C3H5Cl2O4P.1/2Ca, K 701, C3-H5-Cl2-O4-P.1/2Ca, calcium 2,2-dichloroethenyl methyl phosphate, Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt
| Molecular Formula | C6H8CaCl4O8P2 |
|---|---|
| Molecular Weight | 449.81 g/mol |
| LogP | 2.4078 |
| Topological Polar Surface Area | 117.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.80743 |
| Heavy Atoms | 21 |
| Complexity | 396.48312 |
Chemical Identifiers
| CAS Number | 6465-91-4 |
|---|---|
| SMILES | COP(=O)([O-])OC=C(Cl)Cl.COP(=O)([O-])OC=C(Cl)Cl.[Ca+2] |
Product Overview
Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt (CAS 6465-91-4), with molecular formula C6H8CaCl4O8P2 and molecular weight 449.81 g/mol. IUPAC: calcium bis(2,2-dichloroethenyl methyl phosphate).
Chemical Property Profile of Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt
Property Insights of Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt
The XLogP value of 2.4078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt. The TPSA of 117.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt. Following Lipinski's Rule of Five, Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt has 0 hydrogen bond donor(s) and 8 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 Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt?
The CAS number of Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt is 6465-91-4.
What is the molecular formula of Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt?
The molecular formula of Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt is C6H8CaCl4O8P2.
What is the molecular weight of Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt?
The molecular weight of Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt is 449.81 g/mol.
Where can I buy Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt?
You can request a quote for Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, mono(2,2-dichloroethenyl) monomethyl ester, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.