BAS 01107885
TL;DR: BAS 01107885 (CAS 293751-70-9) is a chemical compound with molecular formula C21H20FN5 and molecular weight 361.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 01107885, 6-amino-8-(4-fluorophenyl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-AMINO-8-(4-FLUOROPHENYL)-2-(PROPAN-2-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 6-amino-8-(4-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C21H20FN5 |
|---|---|
| Molecular Weight | 361.17 g/mol |
| LogP | 2.95944 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.1703 |
| Heavy Atoms | 27 |
| Complexity | 922.75964 |
Chemical Identifiers
| CAS Number | 293751-70-9 |
|---|---|
| SMILES | CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F |
Product Overview
BAS 01107885 (CAS 293751-70-9), with molecular formula C21H20FN5 and molecular weight 361.17 g/mol. IUPAC: 6-amino-8-(4-fluorophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of BAS 01107885
Property Insights of BAS 01107885
The XLogP value of 2.95944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01107885. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107885. Following Lipinski's Rule of Five, BAS 01107885 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 01107885?
The CAS number of BAS 01107885 is 293751-70-9.
What is the molecular formula of BAS 01107885?
The molecular formula of BAS 01107885 is C21H20FN5.
What is the molecular weight of BAS 01107885?
The molecular weight of BAS 01107885 is 361.17 g/mol.
Where can I buy BAS 01107885?
You can request a quote for BAS 01107885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107885?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.