3-Chloro-3-butene-1,2-diol
TL;DR: 3-Chloro-3-butene-1,2-diol (CAS 100703-88-6) is a chemical compound with molecular formula C4H7ClO2 and molecular weight 122.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chlorobut-3-ene-1,2-diol
Also Known As: 3-chlorobut-3-ene-1,2-diol, 3-Chloro-3-butene-1,2-diol, 3-chloro-but-3-ene-1,2-diol, rac-3-chlorobut-3-ene-1,2-diol
Technical Specifications
| Molecular Formula | C4H7ClO2 |
| Molecular Weight | 122.01346 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.01346 Da |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| SMILES | C=C(C(CO)O)Cl |
| InChIKey | ZTOTWUUYCJZIJQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-3-butene-1,2-diol
Property Insights of 3-Chloro-3-butene-1,2-diol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-3-butene-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Chloro-3-butene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-3-butene-1,2-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 3-Chloro-3-butene-1,2-diol?
The CAS number of 3-Chloro-3-butene-1,2-diol is 100703-88-6.
What is the molecular formula of 3-Chloro-3-butene-1,2-diol?
The molecular formula of 3-Chloro-3-butene-1,2-diol is C4H7ClO2.
What is the molecular weight of 3-Chloro-3-butene-1,2-diol?
The molecular weight of 3-Chloro-3-butene-1,2-diol is 122.01346 g/mol.
Where can I buy 3-Chloro-3-butene-1,2-diol?
You can request a quote for 3-Chloro-3-butene-1,2-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-3-butene-1,2-diol?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-3-butene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.