1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate
TL;DR: 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate (CAS 114380-32-4) is a chemical compound with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-1,3-benzodioxol-5-yl) acetate
Also Known As: 6-chloro-1,3-benzodioxol-5-yl acetate, (6-chloro-1,3-benzodioxol-5-yl) acetate, 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate, 6-Chloro-2H-1,3-benzodioxol-5-yl acetate
| Molecular Formula | C9H7ClO4 |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.00328 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 114380-32-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C2C(=C1)OCO2)Cl |
| InChIKey | TUMOMICDELURLI-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate (CAS 114380-32-4), with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol. IUPAC: (6-chloro-1,3-benzodioxol-5-yl) acetate.
Chemical Property Profile of 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate
Property Insights of 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate 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 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate?
The CAS number of 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate is 114380-32-4.
What is the molecular formula of 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate?
The molecular formula of 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate is C9H7ClO4.
What is the molecular weight of 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate?
The molecular weight of 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate is 214.00 g/mol.
Where can I buy 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate?
You can request a quote for 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ol, 6-chloro-, 5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.