dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
TL;DR: dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 996-42-9) is a chemical compound with molecular formula C8H16Cl3O4P and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-di(propan-2-yloxy)phosphorylethanol
Also Known As: dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate, 2,2,2-trichloro-1-di(propan-2-yloxy)phosphorylethanol, diisopropyl(2,2,2-trichloro-1-hydroxyethyl)phosphonate, Di(propan-2-yl) (2,2,2-trichloro-1-hydroxyethyl)phosphonate, bis(methylethoxy)phosphino(2,2,2-trichloro-1-hydroxyethyl)-1-one
| Molecular Formula | C8H16Cl3O4P |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.98517 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 996-42-9 |
|---|---|
| SMILES | CC(C)OP(=O)(C(C(Cl)(Cl)Cl)O)OC(C)C |
| InChIKey | HNUKMBJLNSBKON-UHFFFAOYSA-N |
Product Overview
dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate (CAS 996-42-9), with molecular formula C8H16Cl3O4P and molecular weight 311.99 g/mol. IUPAC: 2,2,2-trichloro-1-di(propan-2-yloxy)phosphorylethanol.
Chemical Property Profile of dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
Property Insights of dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate. With a topological polar surface area (TPSA) of 55.8 Ų, dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate has 1 hydrogen bond donor(s) and 4 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 dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The CAS number of dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 996-42-9.
What is the molecular formula of dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular formula of dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is C8H16Cl3O4P.
What is the molecular weight of dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
The molecular weight of dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate is 311.99 g/mol.
Where can I buy dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
You can request a quote for dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for dipropan-2-yl (2,2,2-trichloro-1-hydroxyethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.