1-Bis(trichloroethyl)phosphoryl-1,3-propanediol
TL;DR: 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol (CAS 120287-10-7) is a chemical compound with molecular formula C7H11Cl6O5P and molecular weight 415.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,5,5-trichloro-1,3-dihydroxy-3-(2,2,2-trichloroethyl)pentan-2-yl]phosphonic acid
Also Known As: 1-Btcpp, 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol, [5,5,5-trichloro-1,3-dihydroxy-3-(2,2,2-trichloroethyl)pentan-2-yl]phosphonic acid, 1-[bis(2,2,2-trichloroethyl)phosphoryl]propane-1,3-diol, A,3
| Molecular Formula | C7H11Cl6O5P |
|---|---|
| Molecular Weight | 415.85 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.84753 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 120287-10-7 |
|---|---|
| SMILES | C(C(C(CC(Cl)(Cl)Cl)(CC(Cl)(Cl)Cl)O)P(=O)(O)O)O |
| InChIKey | YZXBXARBRHOBOM-UHFFFAOYSA-N |
Product Overview
1-Bis(trichloroethyl)phosphoryl-1,3-propanediol (CAS 120287-10-7), with molecular formula C7H11Cl6O5P and molecular weight 415.85 g/mol. IUPAC: [5,5,5-trichloro-1,3-dihydroxy-3-(2,2,2-trichloroethyl)pentan-2-yl]phosphonic acid.
Chemical Property Profile of 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol
Property Insights of 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol. Following Lipinski's Rule of Five, 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol has 4 hydrogen bond donor(s) and 5 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 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol?
The CAS number of 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol is 120287-10-7.
What is the molecular formula of 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol?
The molecular formula of 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol is C7H11Cl6O5P.
What is the molecular weight of 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol?
The molecular weight of 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol is 415.85 g/mol.
Where can I buy 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol?
You can request a quote for 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 1-Bis(trichloroethyl)phosphoryl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.