2,2,2-tris-(Chloromethyl)-ethanol
TL;DR: 2,2,2-tris-(Chloromethyl)-ethanol (CAS 813-99-0) is a chemical compound with molecular formula C5H9Cl3O and molecular weight 189.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,2-bis(chloromethyl)propan-1-ol
Also Known As: 3-chloro-2,2-bis(chloromethyl)propan-1-ol, Pentaerythritol trichlorohydrin, 3-chloro-2,2-bis(chloromethyl)-1-Propanol, PENTAERYTHRITOLTRICHLOROHYDRIN, 0075AF
| Molecular Formula | C5H9Cl3O |
|---|---|
| Molecular Weight | 189.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.9719 |
| Heavy Atoms | 9 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 813-99-0 |
|---|---|
| SMILES | C(C(CCl)(CCl)CCl)O |
| InChIKey | VRWHPVMGJTYPLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-tris-(Chloromethyl)-ethanol (CAS 813-99-0), with molecular formula C5H9Cl3O and molecular weight 189.97 g/mol. IUPAC: 3-chloro-2,2-bis(chloromethyl)propan-1-ol.
Chemical Property Profile of 2,2,2-tris-(Chloromethyl)-ethanol
Property Insights of 2,2,2-tris-(Chloromethyl)-ethanol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-tris-(Chloromethyl)-ethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,2,2-tris-(Chloromethyl)-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-tris-(Chloromethyl)-ethanol has 1 hydrogen bond donor(s) and 1 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 2,2,2-tris-(Chloromethyl)-ethanol?
The CAS number of 2,2,2-tris-(Chloromethyl)-ethanol is 813-99-0.
What is the molecular formula of 2,2,2-tris-(Chloromethyl)-ethanol?
The molecular formula of 2,2,2-tris-(Chloromethyl)-ethanol is C5H9Cl3O.
What is the molecular weight of 2,2,2-tris-(Chloromethyl)-ethanol?
The molecular weight of 2,2,2-tris-(Chloromethyl)-ethanol is 189.97 g/mol.
Where can I buy 2,2,2-tris-(Chloromethyl)-ethanol?
You can request a quote for 2,2,2-tris-(Chloromethyl)-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-tris-(Chloromethyl)-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-tris-(Chloromethyl)-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.