tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
TL;DR: tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate (CAS 303967-05-7) is a chemical compound with molecular formula C28H27N5O3 and molecular weight 481.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, (8S,8aR)-tert-butyl 6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C28H27N5O3 |
|---|---|
| Molecular Weight | 481.21 g/mol |
| LogP | 4.50884 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 481.2114 |
| Heavy Atoms | 36 |
| Complexity | 1414.3153 |
Chemical Identifiers
| CAS Number | 303967-05-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC |
Product Overview
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate (CAS 303967-05-7), with molecular formula C28H27N5O3 and molecular weight 481.21 g/mol. IUPAC: tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Property Insights of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
The XLogP value of 4.50884 indicates that tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.16 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate. Following Lipinski's Rule of Five, tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The CAS number of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is 303967-05-7.
What is the molecular formula of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The molecular formula of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is C28H27N5O3.
What is the molecular weight of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The molecular weight of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is 481.21 g/mol.
Where can I buy tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
You can request a quote for tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.