Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
TL;DR: Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- (CAS 296774-13-5) is a chemical compound with molecular formula C16H17N3S and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-[2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanyl(11C)benzonitrile
Also Known As: 11c Dasb, Dasb C-11, [11C]DASB, 11C-DASB, (11C)DASB
| Molecular Formula | C16H17N3S |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.12576 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 296774-13-5 |
|---|---|
| SMILES | CN([11CH3])CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N |
| InChIKey | UVWLEPXXYOYDGR-BJUDXGSMSA-N |
Product Overview
Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- (CAS 296774-13-5), with molecular formula C16H17N3S and molecular weight 282.13 g/mol. IUPAC: 3-amino-4-[2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanyl(11C)benzonitrile.
Chemical Property Profile of Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
Property Insights of Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-. Following Lipinski's Rule of Five, Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- 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 Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-?
The CAS number of Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- is 296774-13-5.
What is the molecular formula of Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-?
The molecular formula of Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- is C16H17N3S.
What is the molecular weight of Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-?
The molecular weight of Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- is 282.13 g/mol.
Where can I buy Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-?
You can request a quote for Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.