2,3-Dibromo-1-propanol
TL;DR: 2,3-Dibromo-1-propanol (CAS 96-13-9) is a chemical compound with molecular formula C3H6Br2O and molecular weight 215.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromopropan-1-ol
Also Known As: 2,3-Dibromo-1-propanol, 2,3-Dibromopropan-1-ol, 2,3-DIBROMOPROPANOL, Dibromopropanol, Brominex 257
| Molecular Formula | C3H6Br2O |
|---|---|
| Molecular Weight | 215.88 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.8765 |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
| Boiling Point | 218.9 °C at 760 mmHg |
| Density | 2.12 at 20.0 °C |
| Solubility | 50 to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 1 mmHg at 57.0 °C ; 5 mmHg at 84.5 °C; 10 mmHg at 98.2 °C |
Chemical Identifiers
| CAS Number | 96-13-9 |
|---|---|
| SMILES | C(C(CBr)Br)O |
| InChIKey | QWVCIORZLNBIIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dibromo-1-propanol (CAS 96-13-9), with molecular formula C3H6Br2O and molecular weight 215.88 g/mol. IUPAC: 2,3-dibromopropan-1-ol.
Chemical Property Profile of 2,3-Dibromo-1-propanol
Property Insights of 2,3-Dibromo-1-propanol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromo-1-propanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3-Dibromo-1-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromo-1-propanol has 1 hydrogen bond donor(s) and 1 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 2,3-Dibromo-1-propanol?
The CAS number of 2,3-Dibromo-1-propanol is 96-13-9.
What is the molecular formula of 2,3-Dibromo-1-propanol?
The molecular formula of 2,3-Dibromo-1-propanol is C3H6Br2O.
What is the molecular weight of 2,3-Dibromo-1-propanol?
The molecular weight of 2,3-Dibromo-1-propanol is 215.88 g/mol.
Where can I buy 2,3-Dibromo-1-propanol?
You can request a quote for 2,3-Dibromo-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromo-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromo-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.