1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate
TL;DR: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate (CAS 73688-95-6) is a chemical compound with molecular formula C14H11Cl3N2O2 and molecular weight 343.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,5-trichloro-4,6-dicyanophenyl) 4-methylpentanoate
Also Known As: 4-Hydroxy-2,5,6-trichloroisophthalonitrile, 4-methylvalerate, 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate, 2,3,5-trichloro-4,6-dicyanophenyl 4-methylpentanoate, (2,3,5-trichloro-4,6-dicyanophenyl) 4-methylpentanoate, 4-Hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile, 4-methylvalerate
| Molecular Formula | C14H11Cl3N2O2 |
|---|---|
| Molecular Weight | 343.99 g/mol |
| LogP | 4.73176 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.98862 |
| Heavy Atoms | 21 |
| Complexity | 657.8988 |
Chemical Identifiers
| CAS Number | 73688-95-6 |
|---|---|
| SMILES | CC(C)CCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
Product Overview
1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate (CAS 73688-95-6), with molecular formula C14H11Cl3N2O2 and molecular weight 343.99 g/mol. IUPAC: (2,3,5-trichloro-4,6-dicyanophenyl) 4-methylpentanoate.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate
Property Insights of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate
The XLogP value of 4.73176 indicates that 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate 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-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate?
The CAS number of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate is 73688-95-6.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate is C14H11Cl3N2O2.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate is 343.99 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, isohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.