5-(3,3-二甲基三氮烯-1-基)间苯二甲腈
TL;DR: 5-(3,3-二甲基三氮烯-1-基)间苯二甲腈 (CAS 66974-82-1) is a chemical compound with molecular formula C10H9N5 and molecular weight 199.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,3-二甲基三氮烯-1-基)间苯二甲腈
5-(dimethylaminodiazenyl)benzene-1,3-dicarbonitrile
Also Known As: 5-(3,3-Dimethyl-1-triazeno)isophthalonitrile, ISOPHTHALONITRILE, 5-(3,3-DIMETHYL-1-TRIAZENO)-, 1,3-Benzenedicarbonitrile, 5-(3,3-dimethyl-1-triazenyl)-, 5-Dimethylaminodiazenylbenzene-1,3-dicarbonitrile, 5-(dimethylaminodiazenyl)benzene-1,3-dicarbonitrile
| Molecular Formula | C10H9N5 |
|---|---|
| Molecular Weight | 199.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0858 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 66974-82-1 |
|---|---|
| SMILES | CN(C)N=NC1=CC(=CC(=C1)C#N)C#N |
| InChIKey | VAPRWCSWLYNLDR-UHFFFAOYSA-N |
Product Overview
5-(3,3-二甲基三氮烯-1-基)间苯二甲腈 (CAS 66974-82-1), with molecular formula C10H9N5 and molecular weight 199.09 g/mol. IUPAC: 5-(dimethylaminodiazenyl)benzene-1,3-dicarbonitrile.
Chemical Property Profile of 5-(3,3-二甲基三氮烯-1-基)间苯二甲腈
Property Insights of 5-(3,3-二甲基三氮烯-1-基)间苯二甲腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,3-二甲基三氮烯-1-基)间苯二甲腈. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,3-二甲基三氮烯-1-基)间苯二甲腈. Following Lipinski's Rule of Five, 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈 has 0 hydrogen bond donor(s) and 5 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 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈?
The CAS number of 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈 is 66974-82-1.
What is the molecular formula of 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈?
The molecular formula of 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈 is C10H9N5.
What is the molecular weight of 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈?
The molecular weight of 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈 is 199.09 g/mol.
Where can I buy 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈?
You can request a quote for 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,3-二甲基-1-三氮烯基)间苯二甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.