BAS 07415493
TL;DR: BAS 07415493 (CAS 313380-03-9) is a chemical compound with molecular formula C21H19ClFN5 and molecular weight 395.13 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-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 07415493, 6-amino-8-(2-chloro-6-fluorophenyl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-(2-chloro-6-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(2-chloro-6-fluorophenyl)-2-(methylethyl)-1,2,3,7,8,8a-hexahydroisoq uinoline-5,7,7-tricarbonitrile, 6-AMINO-8-(2-CHLORO-6-FLUOROPHENYL)-2-(PROPAN-2-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE
| Molecular Formula | C21H19ClFN5 |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.61284 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.1313 |
| Heavy Atoms | 28 |
| Complexity | 970.843 |
Chemical Identifiers
| CAS Number | 313380-03-9 |
|---|---|
| SMILES | CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC=C3Cl)F |
Product Overview
BAS 07415493 (CAS 313380-03-9), with molecular formula C21H19ClFN5 and molecular weight 395.13 g/mol. IUPAC: 6-amino-8-(2-chloro-6-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 07415493
Property Insights of BAS 07415493
The XLogP value of 3.61284 indicates that BAS 07415493 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07415493. Following Lipinski's Rule of Five, BAS 07415493 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 07415493?
The CAS number of BAS 07415493 is 313380-03-9.
What is the molecular formula of BAS 07415493?
The molecular formula of BAS 07415493 is C21H19ClFN5.
What is the molecular weight of BAS 07415493?
The molecular weight of BAS 07415493 is 395.13 g/mol.
Where can I buy BAS 07415493?
You can request a quote for BAS 07415493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07415493?
Yes, KEHONG BIO provides custom synthesis services for BAS 07415493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.