C20H17BrFN5
TL;DR: C20H17BrFN5 (CAS 488783-63-7) is a chemical compound with molecular formula C20H17BrFN5 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: (8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, (8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C20H17BrFN5 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.33344 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.06516 |
| Heavy Atoms | 27 |
| Complexity | 961.55695 |
Chemical Identifiers
| CAS Number | 488783-63-7 |
|---|---|
| SMILES | CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)F |
Product Overview
C20H17BrFN5 (CAS 488783-63-7), with molecular formula C20H17BrFN5 and molecular weight 425.07 g/mol. IUPAC: (8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of C20H17BrFN5
Property Insights of C20H17BrFN5
The XLogP value of 3.33344 indicates that C20H17BrFN5 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 C20H17BrFN5. Following Lipinski's Rule of Five, C20H17BrFN5 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 C20H17BrFN5?
The CAS number of C20H17BrFN5 is 488783-63-7.
What is the molecular formula of C20H17BrFN5?
The molecular formula of C20H17BrFN5 is C20H17BrFN5.
What is the molecular weight of C20H17BrFN5?
The molecular weight of C20H17BrFN5 is 425.07 g/mol.
Where can I buy C20H17BrFN5?
You can request a quote for C20H17BrFN5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17BrFN5?
Yes, KEHONG BIO provides custom synthesis services for C20H17BrFN5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.