3-氯丁酸-2-丙炔酯
TL;DR: 3-氯丁酸-2-丙炔酯 (CAS 88736-52-1) is a chemical compound with molecular formula C7H9ClO2 and molecular weight 160.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯丁酸-2-丙炔酯
prop-2-ynyl 3-chlorobutanoate
Also Known As: Butanoic acid, 3-chloro, 2-propynyl ester, prop-2-ynyl 3-chlorobutanoate, Butanoic acid, 3-chloro-, 2-propynyl ester, PROP-2-YN-1-YL 3-CHLOROBUTANOATE, RefChem:330759
| Molecular Formula | C7H9ClO2 |
|---|---|
| Molecular Weight | 160.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.02911 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 88736-52-1 |
|---|---|
| SMILES | CC(CC(=O)OCC#C)Cl |
| InChIKey | SXWQUSUURHRLLH-UHFFFAOYSA-N |
Product Overview
3-氯丁酸-2-丙炔酯 (CAS 88736-52-1), with molecular formula C7H9ClO2 and molecular weight 160.03 g/mol. IUPAC: prop-2-ynyl 3-chlorobutanoate.
Chemical Property Profile of 3-氯丁酸-2-丙炔酯
Property Insights of 3-氯丁酸-2-丙炔酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯丁酸-2-丙炔酯. With a topological polar surface area (TPSA) of 26.3 Ų, 3-氯丁酸-2-丙炔酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯丁酸-2-丙炔酯 has 0 hydrogen bond donor(s) and 2 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-氯丁酸-2-丙炔酯?
The CAS number of 3-氯丁酸-2-丙炔酯 is 88736-52-1.
What is the molecular formula of 3-氯丁酸-2-丙炔酯?
The molecular formula of 3-氯丁酸-2-丙炔酯 is C7H9ClO2.
What is the molecular weight of 3-氯丁酸-2-丙炔酯?
The molecular weight of 3-氯丁酸-2-丙炔酯 is 160.03 g/mol.
Where can I buy 3-氯丁酸-2-丙炔酯?
You can request a quote for 3-氯丁酸-2-丙炔酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯丁酸-2-丙炔酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氯丁酸-2-丙炔酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.