3-氯丙酸
TL;DR: 3-氯丙酸 (CAS 107-94-8) is a chemical compound with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯丙酸
3-chloropropanoic acid
Also Known As: 3-Chloropropanoic acid, 3-CHLOROPROPIONIC ACID, Propanoic acid, 3-chloro-, beta-Chloropropionic acid, null
| Molecular Formula | C3H5ClO2 |
|---|---|
| Molecular Weight | 108.00 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.99781 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | 41.1 °C |
| Boiling Point | 200.0 °C at 760 mmHg |
| Density | 1.26 |
| Solubility | FREELY SOL IN WATER, ALC, CHLOROFORM |
| Flash Point | greater than 110.0 °C |
| Vapor Pressure | 0.33 [mmHg] |
Chemical Identifiers
| CAS Number | 107-94-8 |
|---|---|
| SMILES | C(CCl)C(=O)O |
| InChIKey | QEYMMOKECZBKAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯丙酸 (CAS 107-94-8), with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol. IUPAC: 3-chloropropanoic acid.
Chemical Property Profile of 3-氯丙酸
Property Insights of 3-氯丙酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯丙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-氯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯丙酸 has 1 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-氯丙酸?
The CAS number of 3-氯丙酸 is 107-94-8.
What is the molecular formula of 3-氯丙酸?
The molecular formula of 3-氯丙酸 is C3H5ClO2.
What is the molecular weight of 3-氯丙酸?
The molecular weight of 3-氯丙酸 is 108.00 g/mol.
Where can I buy 3-氯丙酸?
You can request a quote for 3-氯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.