RefChem:318885
TL;DR: RefChem:318885 (CAS 53359-91-4) is a chemical compound with molecular formula C8H17Cl3NO4P and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 3-(trimethylazaniumyl)propyl phosphate
Also Known As: Ammonium, (3-hydroxypropyl)trimethyl-, inner salt, O-(2,2,2-trichloroethyl)phosphate, (3-Hydroxypropyl)trimethylammonium inner salt O-(2,2,2-trichloroethyl)phosphate, 2,2,2-trichloroethyl 3-(trimethylazaniumyl)propyl phosphate, BRN 3974805, RefChem:318885
| Molecular Formula | C8H17Cl3NO4P |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.99606 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 53359-91-4 |
|---|---|
| SMILES | C[N+](C)(C)CCCOP(=O)([O-])OCC(Cl)(Cl)Cl |
| InChIKey | VFXSEVYWJAGHAE-UHFFFAOYSA-N |
Product Overview
RefChem:318885 (CAS 53359-91-4), with molecular formula C8H17Cl3NO4P and molecular weight 327.00 g/mol. IUPAC: 2,2,2-trichloroethyl 3-(trimethylazaniumyl)propyl phosphate.
Chemical Property Profile of RefChem:318885
Property Insights of RefChem:318885
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318885. With a topological polar surface area (TPSA) of 58.6 Ų, RefChem:318885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318885 has 0 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 RefChem:318885?
The CAS number of RefChem:318885 is 53359-91-4.
What is the molecular formula of RefChem:318885?
The molecular formula of RefChem:318885 is C8H17Cl3NO4P.
What is the molecular weight of RefChem:318885?
The molecular weight of RefChem:318885 is 327.00 g/mol.
Where can I buy RefChem:318885?
You can request a quote for RefChem:318885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.