J2.808.802G
TL;DR: J2.808.802G (CAS 303142-20-3) is a chemical compound with molecular formula C21H18BrN5O2 and molecular weight 451.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: J2.808.802G, ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, 8-(3-Bromophenyl)-3,7,8,8a-tetrahydro-5,7,7-tricyano-6-aminoisoquinoline-2(1H)-carboxylic acid ethyl ester
| Molecular Formula | C21H18BrN5O2 |
|---|---|
| Molecular Weight | 451.06 g/mol |
| LogP | 3.33094 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.0644 |
| Heavy Atoms | 29 |
| Complexity | 1026.3768 |
Chemical Identifiers
| CAS Number | 303142-20-3 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Br |
Product Overview
J2.808.802G (CAS 303142-20-3), with molecular formula C21H18BrN5O2 and molecular weight 451.06 g/mol. IUPAC: ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of J2.808.802G
Property Insights of J2.808.802G
The XLogP value of 3.33094 indicates that J2.808.802G is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.93 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.808.802G. Following Lipinski's Rule of Five, J2.808.802G 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 J2.808.802G?
The CAS number of J2.808.802G is 303142-20-3.
What is the molecular formula of J2.808.802G?
The molecular formula of J2.808.802G is C21H18BrN5O2.
What is the molecular weight of J2.808.802G?
The molecular weight of J2.808.802G is 451.06 g/mol.
Where can I buy J2.808.802G?
You can request a quote for J2.808.802G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.808.802G?
Yes, KEHONG BIO provides custom synthesis services for J2.808.802G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.