BAS 06899661
TL;DR: BAS 06899661 (CAS 369404-19-3) 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-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899661, 6-amino-8-(2-chloro-6-fluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-(2-chloro-6-fluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(6-chloro-2-fluorophenyl)-2-propyl-1,2,3,7,8,8a-hexahydroisoquinolin e-5,7,7-tricarbonitrile
| Molecular Formula | C21H19ClFN5 |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.61444 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1313 |
| Heavy Atoms | 28 |
| Complexity | 957.26904 |
Chemical Identifiers
| CAS Number | 369404-19-3 |
|---|---|
| SMILES | CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC=C3Cl)F |
Product Overview
BAS 06899661 (CAS 369404-19-3), with molecular formula C21H19ClFN5 and molecular weight 395.13 g/mol. IUPAC: 6-amino-8-(2-chloro-6-fluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 06899661
Property Insights of BAS 06899661
The XLogP value of 3.61444 indicates that BAS 06899661 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 06899661. Following Lipinski's Rule of Five, BAS 06899661 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 06899661?
The CAS number of BAS 06899661 is 369404-19-3.
What is the molecular formula of BAS 06899661?
The molecular formula of BAS 06899661 is C21H19ClFN5.
What is the molecular weight of BAS 06899661?
The molecular weight of BAS 06899661 is 395.13 g/mol.
Where can I buy BAS 06899661?
You can request a quote for BAS 06899661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899661?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.