BAS 07415470
TL;DR: BAS 07415470 (CAS 313379-97-4) is a chemical compound with molecular formula C19H15ClFN5 and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(2-chloro-6-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 07415470, 6-amino-8-(2-chloro-6-fluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-(2-chloro-6-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(6-chloro-2-fluorophenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin e-5,7,7-tricarbonitrile
| Molecular Formula | C19H15ClFN5 |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 2.83424 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 367.1 |
| Heavy Atoms | 26 |
| Complexity | 925.3623 |
Chemical Identifiers
| CAS Number | 313379-97-4 |
|---|---|
| SMILES | CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC=C3Cl)F |
Product Overview
BAS 07415470 (CAS 313379-97-4), with molecular formula C19H15ClFN5 and molecular weight 367.10 g/mol. IUPAC: 6-amino-8-(2-chloro-6-fluorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 07415470
Property Insights of BAS 07415470
The XLogP value of 2.83424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07415470. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07415470. Following Lipinski's Rule of Five, BAS 07415470 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 07415470?
The CAS number of BAS 07415470 is 313379-97-4.
What is the molecular formula of BAS 07415470?
The molecular formula of BAS 07415470 is C19H15ClFN5.
What is the molecular weight of BAS 07415470?
The molecular weight of BAS 07415470 is 367.10 g/mol.
Where can I buy BAS 07415470?
You can request a quote for BAS 07415470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07415470?
Yes, KEHONG BIO provides custom synthesis services for BAS 07415470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.