氯醛醇化物
TL;DR: 氯醛醇化物 (CAS 515-83-3) is a chemical compound with molecular formula C4H7Cl3O2 and molecular weight 191.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯醛醇化物
2,2,2-trichloro-1-ethoxyethanol
Also Known As: 2,2,2-Trichloro-1-ethoxyethanol, Chloral alcoholate, Chloral semiacetal, Chloralalkoholat, Chloral ethylalcoholate
| Molecular Formula | C4H7Cl3O2 |
|---|---|
| Molecular Weight | 191.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.95116 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 515-83-3 |
|---|---|
| SMILES | CCOC(C(Cl)(Cl)Cl)O |
| InChIKey | DLHWKJDYXPNWAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯醛醇化物 (CAS 515-83-3), with molecular formula C4H7Cl3O2 and molecular weight 191.95 g/mol. IUPAC: 2,2,2-trichloro-1-ethoxyethanol.
Chemical Property Profile of 氯醛醇化物
Property Insights of 氯醛醇化物
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯醛醇化物. With a topological polar surface area (TPSA) of 29.5 Ų, 氯醛醇化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯醛醇化物 has 1 hydrogen bond donor(s) and 2 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 氯醛醇化物?
The CAS number of 氯醛醇化物 is 515-83-3.
What is the molecular formula of 氯醛醇化物?
The molecular formula of 氯醛醇化物 is C4H7Cl3O2.
What is the molecular weight of 氯醛醇化物?
The molecular weight of 氯醛醇化物 is 191.95 g/mol.
Where can I buy 氯醛醇化物?
You can request a quote for 氯醛醇化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯醛醇化物?
Yes, KEHONG BIO provides custom synthesis services for 氯醛醇化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.