RefChem:173691
TL;DR: RefChem:173691 (CAS 63451-46-7) is a chemical compound with molecular formula C9H16Cl2O8P2 and molecular weight 383.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) (1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methyl phosphate
Also Known As: bis(2-chloroethyl) (1-oxo-2,6,7-trioxa-1, Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]oct-4-yl)methyl ester, bis(2-chloroethyl)(1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]oct-4-yl)methyl phosphate, Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo(2.2.2)oct-4-yl)methyl ester, 4-[[[Bis phosphinyl]oxy]methyl]-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-oxide
| Molecular Formula | C9H16Cl2O8P2 |
|---|---|
| Molecular Weight | 383.97 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 383.96976 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 63451-46-7 |
|---|---|
| SMILES | C1C2(COP(=O)(O1)OC2)COP(=O)(OCCCl)OCCCl |
| InChIKey | GFBXHAARYSFJKM-UHFFFAOYSA-N |
Product Overview
RefChem:173691 (CAS 63451-46-7), with molecular formula C9H16Cl2O8P2 and molecular weight 383.97 g/mol. IUPAC: bis(2-chloroethyl) (1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methyl phosphate.
Chemical Property Profile of RefChem:173691
Property Insights of RefChem:173691
The XLogP value of -0.3 indicates that RefChem:173691 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:173691. Following Lipinski's Rule of Five, RefChem:173691 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 RefChem:173691?
The CAS number of RefChem:173691 is 63451-46-7.
What is the molecular formula of RefChem:173691?
The molecular formula of RefChem:173691 is C9H16Cl2O8P2.
What is the molecular weight of RefChem:173691?
The molecular weight of RefChem:173691 is 383.97 g/mol.
Where can I buy RefChem:173691?
You can request a quote for RefChem:173691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:173691?
Yes, KEHONG BIO provides custom synthesis services for RefChem:173691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.