(8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile
TL;DR: (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile (CAS 293751-76-5) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aR)-6-amino-2-ethyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile, (8R,8aR)-6-amino-2-ethyl-8-(thiophen-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, (8R,8aR)-6-amino-2-ethyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 293751-76-5 |
|---|---|
| SMILES | CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3 |
| InChIKey | WRWSKWAELGNZRB-JKSUJKDBSA-N |
Product Overview
(8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile (CAS 293751-76-5), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: (8R,8aR)-6-amino-2-ethyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile
Property Insights of (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile. Following Lipinski's Rule of Five, (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile has 1 hydrogen bond donor(s) and 6 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 (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile?
The CAS number of (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile is 293751-76-5.
What is the molecular formula of (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile?
The molecular formula of (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile is C18H17N5S.
What is the molecular weight of (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile?
The molecular weight of (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile is 335.12 g/mol.
Where can I buy (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile?
You can request a quote for (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (8R,8aR)-6-amino-2-ethyl-8-(3-thienyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7, 7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.