3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904007-14-3) is a chemical compound with molecular formula C18H26N4S and molecular weight 330.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(dimethylamino)ethylsulfanyl]-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((2-(dimethylamino)ethyl)thio)-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[2-(dimethylamino)ethyl]sulfanyl}-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H26N4S |
|---|---|
| Molecular Weight | 330.19 g/mol |
| LogP | 3.08598 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.1878 |
| Heavy Atoms | 23 |
| Complexity | 600.01965 |
Chemical Identifiers
| CAS Number | 904007-14-3 |
|---|---|
| SMILES | CN(C)CCSC1=C(C2=C(CCCC2)C(=N1)N3CCCC3)C#N |
Product Overview
3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904007-14-3), with molecular formula C18H26N4S and molecular weight 330.19 g/mol. IUPAC: 3-[2-(dimethylamino)ethylsulfanyl]-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.08598 indicates that 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.16 Ų, 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 904007-14-3.
What is the molecular formula of 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C18H26N4S.
What is the molecular weight of 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 330.19 g/mol.
Where can I buy 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-dimethylaminoethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.