4-Bromobutane-1,2-diol
TL;DR: 4-Bromobutane-1,2-diol (CAS 34067-35-1) is a chemical compound with molecular formula C4H9BrO2 and molecular weight 167.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobutane-1,2-diol
Also Known As: 4-bromobutane-1,2-diol, 3-Phospholine, 1,2-Butanediol, 4-bromo-, 4-bromo-1,2-butanediol, 4-Bromobutane-12-diol
| Molecular Formula | C4H9BrO2 |
|---|---|
| Molecular Weight | 167.98 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.97859 |
| Heavy Atoms | 7 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 34067-35-1 |
|---|---|
| SMILES | C(CBr)C(CO)O |
| InChIKey | FTJWOSANAYUMMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromobutane-1,2-diol (CAS 34067-35-1), with molecular formula C4H9BrO2 and molecular weight 167.98 g/mol. IUPAC: 4-bromobutane-1,2-diol.
Chemical Property Profile of 4-Bromobutane-1,2-diol
Property Insights of 4-Bromobutane-1,2-diol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobutane-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Bromobutane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobutane-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
Frequently Asked Questions
What is the CAS number of 4-Bromobutane-1,2-diol?
The CAS number of 4-Bromobutane-1,2-diol is 34067-35-1.
What is the molecular formula of 4-Bromobutane-1,2-diol?
The molecular formula of 4-Bromobutane-1,2-diol is C4H9BrO2.
What is the molecular weight of 4-Bromobutane-1,2-diol?
The molecular weight of 4-Bromobutane-1,2-diol is 167.98 g/mol.
Where can I buy 4-Bromobutane-1,2-diol?
You can request a quote for 4-Bromobutane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobutane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobutane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.