BAS 07417874
TL;DR: BAS 07417874 (CAS 369603-59-8) 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-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 07417874, 6-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-2-ethyl-8-(3-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2-ethyl-8-(3-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-2-ethyl-8-(3-fluorophenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tr icarbonitrile
| 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 | 369603-59-8 |
|---|---|
| SMILES | CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)F |
Product Overview
BAS 07417874 (CAS 369603-59-8), with molecular formula C20H18FN5 and molecular weight 347.15 g/mol. IUPAC: 6-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 07417874
Property Insights of BAS 07417874
The XLogP value of 2.57094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07417874. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07417874. Following Lipinski's Rule of Five, BAS 07417874 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 BAS 07417874?
The CAS number of BAS 07417874 is 369603-59-8.
What is the molecular formula of BAS 07417874?
The molecular formula of BAS 07417874 is C20H18FN5.
What is the molecular weight of BAS 07417874?
The molecular weight of BAS 07417874 is 347.15 g/mol.
Where can I buy BAS 07417874?
You can request a quote for BAS 07417874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07417874?
Yes, KEHONG BIO provides custom synthesis services for BAS 07417874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.