1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro-
TL;DR: 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- (CAS 67205-42-9) is a chemical compound with molecular formula C15H5Cl3N2O2 and molecular weight 349.94 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) benzoate
Also Known As: 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro-, 2,3,5-Trichloro-4,6-dicyanophenyl benzoate, 4-(Benzoyloxy)-2,5,6-trichloro-1,3-benzenedicarbonitrile, (2,3,5-trichloro-4,6-dicyanophenyl) benzoate, BRN 2674689
| Molecular Formula | C15H5Cl3N2O2 |
|---|---|
| Molecular Weight | 349.94 g/mol |
| LogP | 4.60936 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.94165 |
| Heavy Atoms | 22 |
| Complexity | 836.8368 |
Chemical Identifiers
| CAS Number | 67205-42-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C(=C(C(=C2Cl)Cl)C#N)Cl)C#N |
Product Overview
1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- (CAS 67205-42-9), with molecular formula C15H5Cl3N2O2 and molecular weight 349.94 g/mol. IUPAC: (2,3,5-trichloro-4,6-dicyanophenyl) benzoate.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro-
Property Insights of 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro-
The XLogP value of 4.60936 indicates that 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- 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-(benzoyloxy)-2,5,6-trichloro-. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- 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-(benzoyloxy)-2,5,6-trichloro-?
The CAS number of 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- is 67205-42-9.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro-?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- is C15H5Cl3N2O2.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro-?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- is 349.94 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro-?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- 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-(benzoyloxy)-2,5,6-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-(benzoyloxy)-2,5,6-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.