1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro-
TL;DR: 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro- (CAS 67205-46-3) is a chemical compound with molecular formula C12H10Cl3N3 and molecular weight 300.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butylamino)-2,5,6-trichlorobenzene-1,3-dicarbonitrile
Also Known As: 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro-, 4-(Butylamino)-2,5,6-trichloro-1,3-benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichlorobenzene-1,3-dicarbonitrile, BRN 2875470, RefChem:217730
| Molecular Formula | C12H10Cl3N3 |
|---|---|
| Molecular Weight | 300.99 g/mol |
| LogP | 4.60216 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.99402 |
| Heavy Atoms | 18 |
| Complexity | 541.2144 |
Chemical Identifiers
| CAS Number | 67205-46-3 |
|---|---|
| SMILES | CCCCNC1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)C#N |
Product Overview
1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro- (CAS 67205-46-3), with molecular formula C12H10Cl3N3 and molecular weight 300.99 g/mol. IUPAC: 4-(butylamino)-2,5,6-trichlorobenzene-1,3-dicarbonitrile.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro-
Property Insights of 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro-
The XLogP value of 4.60216 indicates that 1,3-Benzenedicarbonitrile, 4-(butylamino)-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 59.61 Ų, 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-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, 4-(butylamino)-2,5,6-trichloro-?
The CAS number of 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro- is 67205-46-3.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro-?
The molecular formula of 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro- is C12H10Cl3N3.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro-?
The molecular weight of 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro- is 300.99 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro-?
You can request a quote for 1,3-Benzenedicarbonitrile, 4-(butylamino)-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-(butylamino)-2,5,6-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4-(butylamino)-2,5,6-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.