丙酰溴
TL;DR: 丙酰溴 (CAS 598-22-1) is a chemical compound with molecular formula C3H5BrO and molecular weight 135.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酰溴
propanoyl bromide
Also Known As: Propionyl bromide, Propanoyl bromide, Propionylbromide, propanyl bromide, Propanoyl-bromide-
| Molecular Formula | C3H5BrO |
|---|---|
| Molecular Weight | 135.95 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.95238 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 598-22-1 |
|---|---|
| SMILES | CCC(=O)Br |
| InChIKey | RIBFXMJCUYXJDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酰溴 (CAS 598-22-1), with molecular formula C3H5BrO and molecular weight 135.95 g/mol. IUPAC: propanoyl bromide.
Chemical Property Profile of 丙酰溴
Property Insights of 丙酰溴
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酰溴. With a topological polar surface area (TPSA) of 17.1 Ų, 丙酰溴 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酰溴 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 丙酰溴?
The CAS number of 丙酰溴 is 598-22-1.
What is the molecular formula of 丙酰溴?
The molecular formula of 丙酰溴 is C3H5BrO.
What is the molecular weight of 丙酰溴?
The molecular weight of 丙酰溴 is 135.95 g/mol.
Where can I buy 丙酰溴?
You can request a quote for 丙酰溴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酰溴?
Yes, KEHONG BIO provides custom synthesis services for 丙酰溴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.