1,1,1-Trichlorobutane-2,3-diol
TL;DR: 1,1,1-Trichlorobutane-2,3-diol (CAS 32817-81-5) is a chemical compound with molecular formula C4H7Cl3O2 and molecular weight 191.95116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trichlorobutane-2,3-diol
Also Known As: 1,1,1-trichlorobutane-2,3-diol, threo-1,1,1-Trichloro-2,3-butanediol, erythro-1,1,1-Trichloro-2,3-butanediol, 2,3-BUTANEDIOL, 1,1,1-TRICHLORO-, threo-, 2,3-BUTANEDIOL, 1,1,1-TRICHLORO-, erythro-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl3O2 |
| Molecular Weight | 191.95116 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.95116 Da |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| SMILES | CC(C(C(Cl)(Cl)Cl)O)O |
| InChIKey | JUELTGCZCZPHPX-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trichlorobutane-2,3-diol
Property Insights of 1,1,1-Trichlorobutane-2,3-diol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichlorobutane-2,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,1,1-Trichlorobutane-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichlorobutane-2,3-diol 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
What is the CAS number of 1,1,1-Trichlorobutane-2,3-diol?
The CAS number of 1,1,1-Trichlorobutane-2,3-diol is 32817-81-5.
What is the molecular formula of 1,1,1-Trichlorobutane-2,3-diol?
The molecular formula of 1,1,1-Trichlorobutane-2,3-diol is C4H7Cl3O2.
What is the molecular weight of 1,1,1-Trichlorobutane-2,3-diol?
The molecular weight of 1,1,1-Trichlorobutane-2,3-diol is 191.95116 g/mol.
Where can I buy 1,1,1-Trichlorobutane-2,3-diol?
You can request a quote for 1,1,1-Trichlorobutane-2,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trichlorobutane-2,3-diol?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trichlorobutane-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.