BAS 11358821
TL;DR: BAS 11358821 (CAS 440110-25-8) is a chemical compound with molecular formula C20H15F2N5O and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-6-amino-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 11358821, 2-acetyl-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 2-ACETYL-6-AMINO-8-(2,4-DIFLUOROPHENYL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 2-acetyl-6-amino-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C20H15F2N5O |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 2.23664 |
| Topological Polar Surface Area | 117.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.12448 |
| Heavy Atoms | 28 |
| Complexity | 1039.8251 |
Chemical Identifiers
| CAS Number | 440110-25-8 |
|---|---|
| SMILES | CC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F |
Product Overview
BAS 11358821 (CAS 440110-25-8), with molecular formula C20H15F2N5O and molecular weight 379.12 g/mol. IUPAC: 2-acetyl-6-amino-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 11358821
Property Insights of BAS 11358821
The XLogP value of 2.23664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11358821. The TPSA of 117.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11358821. Following Lipinski's Rule of Five, BAS 11358821 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 11358821?
The CAS number of BAS 11358821 is 440110-25-8.
What is the molecular formula of BAS 11358821?
The molecular formula of BAS 11358821 is C20H15F2N5O.
What is the molecular weight of BAS 11358821?
The molecular weight of BAS 11358821 is 379.12 g/mol.
Where can I buy BAS 11358821?
You can request a quote for BAS 11358821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11358821?
Yes, KEHONG BIO provides custom synthesis services for BAS 11358821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.