C16H16FN5O2
TL;DR: C16H16FN5O2 (CAS 82585-95-3) is a chemical compound with molecular formula C16H16FN5O2 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-amino-3-(4-fluorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Also Known As: Carbamic acid, (5-amino-3-(4-fluorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester, Ethyl (5-amino-3-(4-fluorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamate, ethyl N-[5-amino-3-(4-fluorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate, Carbamic acid,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethyl ester, ETHYL (5-AMINO-3-(4-FLUOROPHENYL)-1,2-DIHYDROPYRIDO[3,4-B]PYRAZIN-7-YL)CARBAMATE
| Molecular Formula | C16H16FN5O2 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1288 |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 82585-95-3 |
|---|---|
| SMILES | CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)F)N |
| InChIKey | BVIZQAYYHMKVBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C16H16FN5O2 (CAS 82585-95-3), with molecular formula C16H16FN5O2 and molecular weight 329.13 g/mol. IUPAC: ethyl N-[5-amino-3-(4-fluorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
Chemical Property Profile of C16H16FN5O2
Property Insights of C16H16FN5O2
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H16FN5O2. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H16FN5O2. Following Lipinski's Rule of Five, C16H16FN5O2 has 3 hydrogen bond donor(s) and 7 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 C16H16FN5O2?
The CAS number of C16H16FN5O2 is 82585-95-3.
What is the molecular formula of C16H16FN5O2?
The molecular formula of C16H16FN5O2 is C16H16FN5O2.
What is the molecular weight of C16H16FN5O2?
The molecular weight of C16H16FN5O2 is 329.13 g/mol.
Where can I buy C16H16FN5O2?
You can request a quote for C16H16FN5O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H16FN5O2?
Yes, KEHONG BIO provides custom synthesis services for C16H16FN5O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.