α-氯丙酸酐
TL;DR: α-氯丙酸酐 (CAS 39060-20-3) is a chemical compound with molecular formula C6H8Cl2O3 and molecular weight 197.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-氯丙酸酐
2-chloropropanoyl 2-chloropropanoate
Also Known As: 2-Chlorpropionsaeureanhydrid, 2-Chloropropionic acid anhydride, Alpha-chloropropionic acid anhydride, 2-chloropropanoyl 2-chloropropanoate, Bis(2-chloropropionic acid)anhydride
| Molecular Formula | C6H8Cl2O3 |
|---|---|
| Molecular Weight | 197.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.98505 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 39060-20-3 |
|---|---|
| SMILES | CC(C(=O)OC(=O)C(C)Cl)Cl |
| InChIKey | OAVBKHDCXXETQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-氯丙酸酐 (CAS 39060-20-3), with molecular formula C6H8Cl2O3 and molecular weight 197.99 g/mol. IUPAC: 2-chloropropanoyl 2-chloropropanoate.
Chemical Property Profile of α-氯丙酸酐
Property Insights of α-氯丙酸酐
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-氯丙酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, α-氯丙酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-氯丙酸酐 has 0 hydrogen bond donor(s) and 3 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 α-氯丙酸酐?
The CAS number of α-氯丙酸酐 is 39060-20-3.
What is the molecular formula of α-氯丙酸酐?
The molecular formula of α-氯丙酸酐 is C6H8Cl2O3.
What is the molecular weight of α-氯丙酸酐?
The molecular weight of α-氯丙酸酐 is 197.99 g/mol.
Where can I buy α-氯丙酸酐?
You can request a quote for α-氯丙酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-氯丙酸酐?
Yes, KEHONG BIO provides custom synthesis services for α-氯丙酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.