1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-
TL;DR: 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- (CAS 67205-49-6) is a chemical compound with molecular formula C12H9Cl3N2O and molecular weight 301.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-2,5,6-trichlorobenzene-1,3-dicarbonitrile
Also Known As: 4-Butoxy-2,5,6-trichloroisophthalonitrile, 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-, 4-Butoxy-2,5,6-trichloro-1,3-benzenedicarbonitrile, 4-butoxy-2,5,6-trichlorobenzene-1,3-dicarbonitrile, BRN 2663971
| Molecular Formula | C12H9Cl3N2O |
|---|---|
| Molecular Weight | 301.98 g/mol |
| LogP | 4.56906 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.97806 |
| Heavy Atoms | 18 |
| Complexity | 543.96936 |
Chemical Identifiers
| CAS Number | 67205-49-6 |
|---|---|
| SMILES | CCCCOC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
Product Overview
1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- (CAS 67205-49-6), with molecular formula C12H9Cl3N2O and molecular weight 301.98 g/mol. IUPAC: 4-butoxy-2,5,6-trichlorobenzene-1,3-dicarbonitrile.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-
Property Insights of 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-
The XLogP value of 4.56906 indicates that 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.81 Ų, 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- has 0 hydrogen bond donor(s) and 3 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-butoxy-2,5,6-trichloro-?
The CAS number of 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- is 67205-49-6.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- is C12H9Cl3N2O.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- is 301.98 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro-?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-butoxy-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-butoxy-2,5,6-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-butoxy-2,5,6-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.