2-Chloroallylidene-3,3-diacetate
TL;DR: 2-Chloroallylidene-3,3-diacetate (CAS 5459-90-5) is a chemical compound with molecular formula C7H9ClO4 and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-2-chloroprop-2-enyl) acetate
Also Known As: 2-Chloroallylidene diacetate, 2-Chloroallylidene-3,3-diacetate, 2-Chloroallylidene, 3,3-diacetate, 2-Propene-1,1-diol, 2-chloro-, diacetate, 1-Propene-1, 2-chloro-, diacetate
| Molecular Formula | C7H9ClO4 |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.01894 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 5459-90-5 |
|---|---|
| SMILES | CC(=O)OC(C(=C)Cl)OC(=O)C |
| InChIKey | PPHOKWJFQIHKNR-UHFFFAOYSA-N |
Product Overview
2-Chloroallylidene-3,3-diacetate (CAS 5459-90-5), with molecular formula C7H9ClO4 and molecular weight 192.02 g/mol. IUPAC: (1-acetyloxy-2-chloroprop-2-enyl) acetate.
Chemical Property Profile of 2-Chloroallylidene-3,3-diacetate
Property Insights of 2-Chloroallylidene-3,3-diacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroallylidene-3,3-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Chloroallylidene-3,3-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroallylidene-3,3-diacetate has 0 hydrogen bond donor(s) and 4 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-Chloroallylidene-3,3-diacetate?
The CAS number of 2-Chloroallylidene-3,3-diacetate is 5459-90-5.
What is the molecular formula of 2-Chloroallylidene-3,3-diacetate?
The molecular formula of 2-Chloroallylidene-3,3-diacetate is C7H9ClO4.
What is the molecular weight of 2-Chloroallylidene-3,3-diacetate?
The molecular weight of 2-Chloroallylidene-3,3-diacetate is 192.02 g/mol.
Where can I buy 2-Chloroallylidene-3,3-diacetate?
You can request a quote for 2-Chloroallylidene-3,3-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroallylidene-3,3-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroallylidene-3,3-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.