RefChem:862743
TL;DR: RefChem:862743 (CAS 63451-45-6) is a chemical compound with molecular formula C13H26Cl4O10P2 and molecular weight 543.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[bis(2-chloroethoxy)phosphoryloxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] bis(2-chloroethyl) phosphate
Also Known As: Tetrakis(2-chloroethyl)pentaerythritol diphosphate, Thiocyanic acid, thiodi-2,1-ethanediyl ester, Phosphoric acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl tetrakis(2-chloroethyl) ester, 3-03-00-00287 (Beilstein Handbook Reference), Thiocyanic acid, diester with 2,2'-thiodiethanol
| Molecular Formula | C13H26Cl4O10P2 |
|---|---|
| Molecular Weight | 543.98 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 545.9726 |
| Heavy Atoms | 29 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 63451-45-6 |
|---|---|
| SMILES | C(CCl)OP(=O)(OCCCl)OCC(CO)(CO)COP(=O)(OCCCl)OCCCl |
| InChIKey | HDYKSDOJZARVPT-UHFFFAOYSA-N |
Product Overview
RefChem:862743 (CAS 63451-45-6), with molecular formula C13H26Cl4O10P2 and molecular weight 543.98 g/mol. IUPAC: [2-[bis(2-chloroethoxy)phosphoryloxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] bis(2-chloroethyl) phosphate.
Chemical Property Profile of RefChem:862743
Property Insights of RefChem:862743
The XLogP value of -0.1 indicates that RefChem:862743 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:862743. Following Lipinski's Rule of Five, RefChem:862743 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:862743?
The CAS number of RefChem:862743 is 63451-45-6.
What is the molecular formula of RefChem:862743?
The molecular formula of RefChem:862743 is C13H26Cl4O10P2.
What is the molecular weight of RefChem:862743?
The molecular weight of RefChem:862743 is 543.98 g/mol.
Where can I buy RefChem:862743?
You can request a quote for RefChem:862743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:862743?
Yes, KEHONG BIO provides custom synthesis services for RefChem:862743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.