methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
TL;DR: methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate (CAS 353765-45-4) is a chemical compound with molecular formula C23H23N5O4 and molecular weight 433.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C23H23N5O4 |
|---|---|
| Molecular Weight | 433.18 g/mol |
| LogP | 2.58564 |
| Topological Polar Surface Area | 145.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.17502 |
| Heavy Atoms | 32 |
| Complexity | 1104.6666 |
Chemical Identifiers
| CAS Number | 353765-45-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC)OC |
Product Overview
methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate (CAS 353765-45-4), with molecular formula C23H23N5O4 and molecular weight 433.18 g/mol. IUPAC: methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
Property Insights of methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
The XLogP value of 2.58564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate. The TPSA of 145.39 Ų indicates high polarity, suggesting methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate has 1 hydrogen bond donor(s) and 8 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 methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate?
The CAS number of methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate is 353765-45-4.
What is the molecular formula of methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate?
The molecular formula of methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate is C23H23N5O4.
What is the molecular weight of methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate?
The molecular weight of methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate is 433.18 g/mol.
Where can I buy methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate?
You can request a quote for methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-5,5,7-tricyano-8-(4-ethoxy-3-methoxyphenyl)-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.