![3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile structure](/static/products/138/138292-30-5.png)
3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile
TL;DR: 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile (CAS 138292-30-5) is a chemical compound with molecular formula C20H23N3S and molecular weight 337.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[benzyl(methyl)amino]-3,3,8-trimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile, 6-(benzyl(methyl)amino)-3,3,8-trimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile, 6-[benzyl(methyl)amino]-3,3,8-trimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile, 6-[benzyl(methyl)amino]-3,3,8-trimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C20H23N3S |
|---|---|
| Molecular Weight | 337.16 g/mol |
| LogP | 4.466 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.16125 |
| Heavy Atoms | 24 |
| Complexity | 790.76666 |
Chemical Identifiers
| CAS Number | 138292-30-5 |
|---|---|
| SMILES | CC1=C2CSC(CC2=C(C(=N1)N(C)CC3=CC=CC=C3)C#N)(C)C |
Product Overview
3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile (CAS 138292-30-5), with molecular formula C20H23N3S and molecular weight 337.16 g/mol. IUPAC: 6-[benzyl(methyl)amino]-3,3,8-trimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile
Property Insights of 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile
The XLogP value of 4.466 indicates that 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile has 0 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 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile?
The CAS number of 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile is 138292-30-5.
What is the molecular formula of 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile?
The molecular formula of 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile is C20H23N3S.
What is the molecular weight of 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile?
The molecular weight of 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile is 337.16 g/mol.
Where can I buy 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile?
You can request a quote for 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzyl-methyl-amino)-5,9,9-trimethyl-8-thia-4-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.