1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro-
TL;DR: 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- (CAS 67205-45-2) is a chemical compound with molecular formula C9H4Cl3N3 and molecular weight 258.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trichloro-6-(methylamino)benzene-1,3-dicarbonitrile
Also Known As: 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro-, 6-(Methylamino)-2,4,5-trichloro-1,3-benzenedicarbonitrile, 2,4,5-trichloro-6-(methylamino)benzene-1,3-dicarbonitrile, BRN 2859862, RefChem:217745
| Molecular Formula | C9H4Cl3N3 |
|---|---|
| Molecular Weight | 258.95 g/mol |
| LogP | 3.43186 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.94708 |
| Heavy Atoms | 15 |
| Complexity | 493.28986 |
Chemical Identifiers
| CAS Number | 67205-45-2 |
|---|---|
| SMILES | CNC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
Product Overview
1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- (CAS 67205-45-2), with molecular formula C9H4Cl3N3 and molecular weight 258.95 g/mol. IUPAC: 2,4,5-trichloro-6-(methylamino)benzene-1,3-dicarbonitrile.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro-
Property Insights of 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro-
The XLogP value of 3.43186 indicates that 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- has 1 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, 6-(methylamino)-2,4,5-trichloro-?
The CAS number of 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- is 67205-45-2.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro-?
The molecular formula of 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- is C9H4Cl3N3.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro-?
The molecular weight of 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- is 258.95 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro-?
You can request a quote for 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-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, 6-(methylamino)-2,4,5-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 6-(methylamino)-2,4,5-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.