A0844/0039553
TL;DR: A0844/0039553 (CAS 339587-73-4) is a chemical compound with molecular formula C20H18FN5 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-ethyl-8-(2-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: A0844/0039553, 6-amino-2-ethyl-8-(2-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-AMINO-2-ETHYL-8-(2-FLUOROPHENYL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 6-amino-2-ethyl-8-(2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
| Molecular Formula | C20H18FN5 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 2.57094 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.15463 |
| Heavy Atoms | 26 |
| Complexity | 910.74554 |
Chemical Identifiers
| CAS Number | 339587-73-4 |
|---|---|
| SMILES | CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3F |
Product Overview
A0844/0039553 (CAS 339587-73-4), with molecular formula C20H18FN5 and molecular weight 347.15 g/mol. IUPAC: 6-amino-2-ethyl-8-(2-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of A0844/0039553
Property Insights of A0844/0039553
The XLogP value of 2.57094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0844/0039553. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A0844/0039553. Following Lipinski's Rule of Five, A0844/0039553 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 A0844/0039553?
The CAS number of A0844/0039553 is 339587-73-4.
What is the molecular formula of A0844/0039553?
The molecular formula of A0844/0039553 is C20H18FN5.
What is the molecular weight of A0844/0039553?
The molecular weight of A0844/0039553 is 347.15 g/mol.
Where can I buy A0844/0039553?
You can request a quote for A0844/0039553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0844/0039553?
Yes, KEHONG BIO provides custom synthesis services for A0844/0039553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.