methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate
TL;DR: methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate (CAS 327098-39-5) is a chemical compound with molecular formula C20H18FN3O2 and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate
Also Known As: methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate, Methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate
| Molecular Formula | C20H18FN3O2 |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 3.06876 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.1383 |
| Heavy Atoms | 26 |
| Complexity | 906.36676 |
Chemical Identifiers
| CAS Number | 327098-39-5 |
|---|---|
| SMILES | COC(=O)C1(C(C2CCCC=C2C(=C1N)C#N)C3=CC=CC=C3F)C#N |
Product Overview
methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate (CAS 327098-39-5), with molecular formula C20H18FN3O2 and molecular weight 351.14 g/mol. IUPAC: methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2-carboxylate.
Chemical Property Profile of methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate
Property Insights of methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate
The XLogP value of 3.06876 indicates that methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate has 1 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 methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate?
The CAS number of methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate is 327098-39-5.
What is the molecular formula of methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate?
The molecular formula of methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate is C20H18FN3O2.
What is the molecular weight of methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate?
The molecular weight of methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate is 351.14 g/mol.
Where can I buy methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate?
You can request a quote for methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-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 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-amino-2,4-dicyano-1-(2-fluorophenyl)-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.