AB00980534-01
TL;DR: AB00980534-01 (CAS 780813-52-7) is a chemical compound with molecular formula C16H8FN7 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
Also Known As: AB00980534-01, 6-amino-5-[(4-fluorophenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile, 6-amino-5-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
| Molecular Formula | C16H8FN7 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 1.81594 |
| Topological Polar Surface Area | 128.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.08252 |
| Heavy Atoms | 24 |
| Complexity | 1075.5223 |
Chemical Identifiers
| CAS Number | 780813-52-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C#N)N)F |
Product Overview
AB00980534-01 (CAS 780813-52-7), with molecular formula C16H8FN7 and molecular weight 317.08 g/mol. IUPAC: 6-amino-5-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile.
Chemical Property Profile of AB00980534-01
Property Insights of AB00980534-01
The XLogP value of 1.81594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00980534-01. The TPSA of 128.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00980534-01. Following Lipinski's Rule of Five, AB00980534-01 has 1 hydrogen bond donor(s) and 6 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 AB00980534-01?
The CAS number of AB00980534-01 is 780813-52-7.
What is the molecular formula of AB00980534-01?
The molecular formula of AB00980534-01 is C16H8FN7.
What is the molecular weight of AB00980534-01?
The molecular weight of AB00980534-01 is 317.08 g/mol.
Where can I buy AB00980534-01?
You can request a quote for AB00980534-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00980534-01?
Yes, KEHONG BIO provides custom synthesis services for AB00980534-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.