3-Phenylpropanoyl bromide
TL;DR: 3-Phenylpropanoyl bromide (CAS 10500-29-5) is a chemical compound with molecular formula C9H9BrO and molecular weight 211.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropanoyl bromide
Also Known As: Hydrocinnamoyl bromide, 3-Phenylpropanoyl bromide, Benzenepropanoyl bromide, 3-Phenylpropionyl bromide, 1-Bromo-3-phenyl-1-propanone
| Molecular Formula | C9H9BrO |
|---|---|
| Molecular Weight | 211.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.98367 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 10500-29-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)Br |
| InChIKey | KNNKTMOYEUWZNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropanoyl bromide (CAS 10500-29-5), with molecular formula C9H9BrO and molecular weight 211.98 g/mol. IUPAC: 3-phenylpropanoyl bromide.
Chemical Property Profile of 3-Phenylpropanoyl bromide
Property Insights of 3-Phenylpropanoyl bromide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropanoyl bromide. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Phenylpropanoyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropanoyl bromide has 0 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 3-Phenylpropanoyl bromide?
The CAS number of 3-Phenylpropanoyl bromide is 10500-29-5.
What is the molecular formula of 3-Phenylpropanoyl bromide?
The molecular formula of 3-Phenylpropanoyl bromide is C9H9BrO.
What is the molecular weight of 3-Phenylpropanoyl bromide?
The molecular weight of 3-Phenylpropanoyl bromide is 211.98 g/mol.
Where can I buy 3-Phenylpropanoyl bromide?
You can request a quote for 3-Phenylpropanoyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropanoyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropanoyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.