Bas 06900036
TL;DR: Bas 06900036 (CAS 6457-96-1) is a chemical compound with molecular formula C18H13FN4O and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile
Also Known As: BAS 06900036, J2.791.304K, 6-amino-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile, 6-amino-8-(4-fluorophenyl)-8,8a-dihydro-1H-isochromene-5,7,7(3H)-tricarbonitrile, 6-amino-8-(4-fluorophenyl)-3,7,8,8a-tetrahydro-1H-isochromene-5,7,7-tricarbonitrile
| Molecular Formula | C18H13FN4O |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 2.26564 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.10733 |
| Heavy Atoms | 24 |
| Complexity | 850.25543 |
Chemical Identifiers
| CAS Number | 6457-96-1 |
|---|---|
| SMILES | C1C=C2C(CO1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F |
Product Overview
Bas 06900036 (CAS 6457-96-1), with molecular formula C18H13FN4O and molecular weight 320.11 g/mol. IUPAC: 6-amino-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile.
Chemical Property Profile of Bas 06900036
Property Insights of Bas 06900036
The XLogP value of 2.26564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bas 06900036. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Bas 06900036. Following Lipinski's Rule of Five, Bas 06900036 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 06900036?
The CAS number of Bas 06900036 is 6457-96-1.
What is the molecular formula of Bas 06900036?
The molecular formula of Bas 06900036 is C18H13FN4O.
What is the molecular weight of Bas 06900036?
The molecular weight of Bas 06900036 is 320.11 g/mol.
Where can I buy Bas 06900036?
You can request a quote for Bas 06900036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bas 06900036?
Yes, KEHONG BIO provides custom synthesis services for Bas 06900036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.