![methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate structure](/static/products/3624/362482-33-5.webp)
methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
TL;DR: methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate (CAS 362482-33-5) is a chemical compound with molecular formula C24H25N5O3 and molecular weight 431.20 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-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, methyl 6-amino-8-(4-tert-butoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, methyl 6-amino-8-(4-(tert-butoxy)phenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate, methyl 6-amino-8-(4-tert-butoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate, METHYL 6-AMINO-8-[4-(TERT-BUTOXY)PHENYL]-5,5,7-TRICYANO-3,5,8,8A-TETRAHYDRO-2(1H)-ISOQUINOLINECARBOXYLATE
| Molecular Formula | C24H25N5O3 |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 3.35564 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.19574 |
| Heavy Atoms | 32 |
| Complexity | 1092.7546 |
Chemical Identifiers
| CAS Number | 362482-33-5 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(C=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC |
Product Overview
methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate (CAS 362482-33-5), with molecular formula C24H25N5O3 and molecular weight 431.20 g/mol. IUPAC: methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Property Insights of methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
The XLogP value of 3.35564 indicates that methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-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 methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-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 methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The CAS number of methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is 362482-33-5.
What is the molecular formula of methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The molecular formula of methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is C24H25N5O3.
What is the molecular weight of methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The molecular weight of methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is 431.20 g/mol.
Where can I buy methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
You can request a quote for methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-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 methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-5,5,7-tricyano-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.