水合氯醛
TL;DR: 水合氯醛 (CAS 302-17-0) is a chemical compound with molecular formula C2H3Cl3O2 and molecular weight 163.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水合氯醛
2,2,2-trichloroethane-1,1-diol
Also Known As: chloral hydrate, Noctec, Tosyl, Chloralhydrate, Chloraldurat
| Molecular Formula | C2H3Cl3O2 |
|---|---|
| Molecular Weight | 163.92 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.91986 |
| Heavy Atoms | 7 |
| Complexity | 56.0 |
| Melting Point | 57.2 °C |
| Boiling Point | 97.5 °C at 760 mmHg |
| Density | 1.9081 at 20.0 °C |
| Solubility | greater than or equal to 10 mg/mL at 68.9 °F (NTP, 1992) |
| Vapor Pressure | 5 mmHg at 10.0 °C ; 10 mmHg at 19.5 °C; 60 mmHg at 46.2 °C |
Chemical Identifiers
| CAS Number | 302-17-0 |
|---|---|
| SMILES | C(C(Cl)(Cl)Cl)(O)O |
| InChIKey | RNFNDJAIBTYOQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水合氯醛 (CAS 302-17-0), with molecular formula C2H3Cl3O2 and molecular weight 163.92 g/mol. IUPAC: 2,2,2-trichloroethane-1,1-diol.
Chemical Property Profile of 水合氯醛
Property Insights of 水合氯醛
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水合氯醛. With a topological polar surface area (TPSA) of 40.5 Ų, 水合氯醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水合氯醛 has 2 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 水合氯醛?
The CAS number of 水合氯醛 is 302-17-0.
What is the molecular formula of 水合氯醛?
The molecular formula of 水合氯醛 is C2H3Cl3O2.
What is the molecular weight of 水合氯醛?
The molecular weight of 水合氯醛 is 163.92 g/mol.
Where can I buy 水合氯醛?
You can request a quote for 水合氯醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水合氯醛?
Yes, KEHONG BIO provides custom synthesis services for 水合氯醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.