1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate
TL;DR: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate (CAS 67205-72-5) is a chemical compound with molecular formula C10H4Cl3N3O2 and molecular weight 302.94 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) N-methylcarbamate
Also Known As: 4-Hydroxy-2,5,6-trichloroisophthalonitrile, 4-methylcarbamate, 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate, (2,3,5-trichloro-4,6-dicyanophenyl) N-methylcarbamate, 4-Hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile, 4-methylcarbamate, 2,3,5-Trichloro-4,6-dicyanophenyl methylcarbamate
| Molecular Formula | C10H4Cl3N3O2 |
|---|---|
| Molecular Weight | 302.94 g/mol |
| LogP | 3.10836 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.93692 |
| Heavy Atoms | 18 |
| Complexity | 602.1013 |
Chemical Identifiers
| CAS Number | 67205-72-5 |
|---|---|
| SMILES | CNC(=O)OC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
Product Overview
1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate (CAS 67205-72-5), with molecular formula C10H4Cl3N3O2 and molecular weight 302.94 g/mol. IUPAC: (2,3,5-trichloro-4,6-dicyanophenyl) N-methylcarbamate.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate
Property Insights of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate
The XLogP value of 3.10836 indicates that 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate has 1 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-, 4-methylcarbamate?
The CAS number of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate is 67205-72-5.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate is C10H4Cl3N3O2.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate is 302.94 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate 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-, 4-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.