3-Bromo-2-hydroxypropyl benzoate
TL;DR: 3-Bromo-2-hydroxypropyl benzoate (CAS 62522-73-0) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-2-hydroxypropyl) benzoate
Also Known As: 3-bromo-2-hydroxypropyl benzoate, 1-Benzoyloxy-3-bromopropan-2-ol, (3-bromo-2-hydroxypropyl) benzoate, 3-Bromo-2-hydroxypropyl=benzoate, Benzoic acid 2-hydroxy-3-bromopropyl ester
| Molecular Formula | C10H11BrO3 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.98917 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 62522-73-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(CBr)O |
| InChIKey | WPROCBDMOWIRCU-UHFFFAOYSA-N |
Product Overview
3-Bromo-2-hydroxypropyl benzoate (CAS 62522-73-0), with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol. IUPAC: (3-bromo-2-hydroxypropyl) benzoate.
Chemical Property Profile of 3-Bromo-2-hydroxypropyl benzoate
Property Insights of 3-Bromo-2-hydroxypropyl benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-hydroxypropyl benzoate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Bromo-2-hydroxypropyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-hydroxypropyl benzoate has 1 hydrogen bond donor(s) and 3 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 3-Bromo-2-hydroxypropyl benzoate?
The CAS number of 3-Bromo-2-hydroxypropyl benzoate is 62522-73-0.
What is the molecular formula of 3-Bromo-2-hydroxypropyl benzoate?
The molecular formula of 3-Bromo-2-hydroxypropyl benzoate is C10H11BrO3.
What is the molecular weight of 3-Bromo-2-hydroxypropyl benzoate?
The molecular weight of 3-Bromo-2-hydroxypropyl benzoate is 257.99 g/mol.
Where can I buy 3-Bromo-2-hydroxypropyl benzoate?
You can request a quote for 3-Bromo-2-hydroxypropyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-hydroxypropyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-hydroxypropyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.