1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate
TL;DR: 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate (CAS 4593-00-4) is a chemical compound with molecular formula C12H6Cl2N2O4 and molecular weight 311.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-2,3-dichloro-5,6-dicyanophenyl) acetate
Also Known As: 3,6-diacetoxy-4,5-dichloro-phthalonitrile, 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate, (4-acetyloxy-2,3-dichloro-5,6-dicyanophenyl) acetate, 4-(Acetyloxy)-2,3-dichloro-5,6-dicyanophenyl acetate #, 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate(ester)
| Molecular Formula | C12H6Cl2N2O4 |
|---|---|
| Molecular Weight | 311.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.97046 |
| Heavy Atoms | 20 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 4593-00-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=C(C(=C1C#N)C#N)OC(=O)C)Cl)Cl |
| InChIKey | HZOYRHAKLMONMZ-UHFFFAOYSA-N |
Product Overview
1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate (CAS 4593-00-4), with molecular formula C12H6Cl2N2O4 and molecular weight 311.97 g/mol. IUPAC: (4-acetyloxy-2,3-dichloro-5,6-dicyanophenyl) acetate.
Chemical Property Profile of 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate
Property Insights of 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate has 0 hydrogen bond donor(s) and 6 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, 2,3-dichloro-5,6-dicyano-, diacetate?
The CAS number of 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate is 4593-00-4.
What is the molecular formula of 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate?
The molecular formula of 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate is C12H6Cl2N2O4.
What is the molecular weight of 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate?
The molecular weight of 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate is 311.97 g/mol.
Where can I buy 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate?
You can request a quote for 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, 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, 2,3-dichloro-5,6-dicyano-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2,3-dichloro-5,6-dicyano-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.