2-Propynoyl chloride, 3-phenyl-
TL;DR: 2-Propynoyl chloride, 3-phenyl- (CAS 7299-58-3) is a chemical compound with molecular formula C9H5ClO and molecular weight 164.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-ynoyl chloride
Also Known As: 3-phenylprop-2-ynoyl chloride, 2-Propynoyl chloride, 3-phenyl-, phenylpropynoyl chloride, Phenylpropiolsaurechlorid, 3-phenylpropioloyl chloride
| Molecular Formula | C9H5ClO |
|---|---|
| Molecular Weight | 164.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.0029 |
| Heavy Atoms | 11 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 7299-58-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC(=O)Cl |
| InChIKey | BZPHJDQWFRMGER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propynoyl chloride, 3-phenyl- (CAS 7299-58-3), with molecular formula C9H5ClO and molecular weight 164.00 g/mol. IUPAC: 3-phenylprop-2-ynoyl chloride.
Chemical Property Profile of 2-Propynoyl chloride, 3-phenyl-
Property Insights of 2-Propynoyl chloride, 3-phenyl-
The XLogP value of 3.0 indicates that 2-Propynoyl chloride, 3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Propynoyl chloride, 3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propynoyl chloride, 3-phenyl- 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 2-Propynoyl chloride, 3-phenyl-?
The CAS number of 2-Propynoyl chloride, 3-phenyl- is 7299-58-3.
What is the molecular formula of 2-Propynoyl chloride, 3-phenyl-?
The molecular formula of 2-Propynoyl chloride, 3-phenyl- is C9H5ClO.
What is the molecular weight of 2-Propynoyl chloride, 3-phenyl-?
The molecular weight of 2-Propynoyl chloride, 3-phenyl- is 164.00 g/mol.
Where can I buy 2-Propynoyl chloride, 3-phenyl-?
You can request a quote for 2-Propynoyl chloride, 3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynoyl chloride, 3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynoyl chloride, 3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.