(2H-1,3-Benzodioxol-5-yl)methyl chloroacetate
TL;DR: (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate (CAS 6316-95-6) is a chemical compound with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 2-chloroacetate
Also Known As: 1,3-benzodioxol-5-ylmethyl chloroacetate, KST-1B6596, 1,3-benzodioxol-5-ylmethyl 2-chloroacetate, (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate, benzo[1,3]dioxol-5-ylmethyl2-chloroacetate
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6316-95-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)COC(=O)CCl |
| InChIKey | OOLGQDFBONNDEU-UHFFFAOYSA-N |
Product Overview
(2H-1,3-Benzodioxol-5-yl)methyl chloroacetate (CAS 6316-95-6), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 2-chloroacetate.
Chemical Property Profile of (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate
Property Insights of (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate. With a topological polar surface area (TPSA) of 44.8 Ų, (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate 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 (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate?
The CAS number of (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate is 6316-95-6.
What is the molecular formula of (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate?
The molecular formula of (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate is C10H9ClO4.
What is the molecular weight of (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate?
The molecular weight of (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate is 228.02 g/mol.
Where can I buy (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate?
You can request a quote for (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for (2H-1,3-Benzodioxol-5-yl)methyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.