1,4-Benzenediol, 2-chloro-, 1,4-diacetate
TL;DR: 1,4-Benzenediol, 2-chloro-, 1,4-diacetate (CAS 57981-99-4) 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.
(4-acetyloxy-3-chlorophenyl) acetate
Also Known As: 2-Chloro-1,4-phenylene diacetate, chlorohydroquinone diacetate, 1,4-Benzenediol, 2-chloro-, 1,4-diacetate, 1,4-Benzenediol, 2-chloro-, diacetate, 2-chloro-1,4-phenylenediacetate
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 57981-99-4 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)OC(=O)C)Cl |
| InChIKey | BJNWFLGHFAIHAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediol, 2-chloro-, 1,4-diacetate (CAS 57981-99-4), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: (4-acetyloxy-3-chlorophenyl) acetate.
Chemical Property Profile of 1,4-Benzenediol, 2-chloro-, 1,4-diacetate
Property Insights of 1,4-Benzenediol, 2-chloro-, 1,4-diacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2-chloro-, 1,4-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Benzenediol, 2-chloro-, 1,4-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2-chloro-, 1,4-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 1,4-Benzenediol, 2-chloro-, 1,4-diacetate?
The CAS number of 1,4-Benzenediol, 2-chloro-, 1,4-diacetate is 57981-99-4.
What is the molecular formula of 1,4-Benzenediol, 2-chloro-, 1,4-diacetate?
The molecular formula of 1,4-Benzenediol, 2-chloro-, 1,4-diacetate is C10H9ClO4.
What is the molecular weight of 1,4-Benzenediol, 2-chloro-, 1,4-diacetate?
The molecular weight of 1,4-Benzenediol, 2-chloro-, 1,4-diacetate is 228.02 g/mol.
Where can I buy 1,4-Benzenediol, 2-chloro-, 1,4-diacetate?
You can request a quote for 1,4-Benzenediol, 2-chloro-, 1,4-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2-chloro-, 1,4-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2-chloro-, 1,4-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.