1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate
TL;DR: 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate (CAS 67205-43-0) is a chemical compound with molecular formula C13H10Cl3N3O2 and molecular weight 344.98 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-butylcarbamate
Also Known As: 2,4-Dicyano-3,5,6-trichlorophenyl=butylcarbamate, 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate, 4-Hydroxy-2,5,6-trichloroisophthalonitrile, 4-butylcarbamate, 2,3,5-Trichloro-4,6-dicyanophenyl butylcarbamate, 4-Hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile, 4-butylcarbamate
| Molecular Formula | C13H10Cl3N3O2 |
|---|---|
| Molecular Weight | 344.98 g/mol |
| LogP | 4.27866 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.98386 |
| Heavy Atoms | 21 |
| Complexity | 647.7774 |
Chemical Identifiers
| CAS Number | 67205-43-0 |
|---|---|
| SMILES | CCCCNC(=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-butylcarbamate (CAS 67205-43-0), with molecular formula C13H10Cl3N3O2 and molecular weight 344.98 g/mol. IUPAC: (2,3,5-trichloro-4,6-dicyanophenyl) N-butylcarbamate.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate
Property Insights of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate
The XLogP value of 4.27866 indicates that 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate 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-butylcarbamate. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate 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-butylcarbamate?
The CAS number of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate is 67205-43-0.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate is C13H10Cl3N3O2.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate is 344.98 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate 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-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, 4-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.