Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester
TL;DR: Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester (CAS 34460-69-0) is a chemical compound with molecular formula C4H8Cl3O4P and molecular weight 257.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-[methoxy((114C)methoxy)phosphoryl]ethanol
Also Known As: Metrifonate, 2,2,2-trichloro-1-di(methoxy)phosphorylethanol, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester, Methyl (~14~C)methyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
| Molecular Formula | C4H8Cl3O4P |
|---|---|
| Molecular Weight | 257.93 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.9258 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 34460-69-0 |
|---|---|
| SMILES | COP(=O)(C(C(Cl)(Cl)Cl)O)O[14CH3] |
| InChIKey | NFACJZMKEDPNKN-NJFSPNSNSA-N |
Product Overview
Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester (CAS 34460-69-0), with molecular formula C4H8Cl3O4P and molecular weight 257.93 g/mol. IUPAC: 2,2,2-trichloro-1-[methoxy((114C)methoxy)phosphoryl]ethanol.
Chemical Property Profile of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester
Property Insights of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester. With a topological polar surface area (TPSA) of 55.8 Ų, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester 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 Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester?
The CAS number of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester is 34460-69-0.
What is the molecular formula of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester?
The molecular formula of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester is C4H8Cl3O4P.
What is the molecular weight of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester?
The molecular weight of Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester is 257.93 g/mol.
Where can I buy Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester?
You can request a quote for Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.