AB00411495-03
TL;DR: AB00411495-03 (CAS 852450-63-6) is a chemical compound with molecular formula C22H18FN5O4 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
Also Known As: AB00411495-03, F0679-0399, ethyl 2-(2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzoate, ethyl 2-{2-[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamido}benzoate, ethyl 2-[[2-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
| Molecular Formula | C22H18FN5O4 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 2.5367 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.13428 |
| Heavy Atoms | 32 |
| Complexity | 1361.0115 |
Chemical Identifiers
| CAS Number | 852450-63-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F |
Product Overview
AB00411495-03 (CAS 852450-63-6), with molecular formula C22H18FN5O4 and molecular weight 435.13 g/mol. IUPAC: ethyl 2-[[2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate.
Chemical Property Profile of AB00411495-03
Property Insights of AB00411495-03
The XLogP value of 2.5367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00411495-03. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00411495-03. Following Lipinski's Rule of Five, AB00411495-03 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 AB00411495-03?
The CAS number of AB00411495-03 is 852450-63-6.
What is the molecular formula of AB00411495-03?
The molecular formula of AB00411495-03 is C22H18FN5O4.
What is the molecular weight of AB00411495-03?
The molecular weight of AB00411495-03 is 435.13 g/mol.
Where can I buy AB00411495-03?
You can request a quote for AB00411495-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00411495-03?
Yes, KEHONG BIO provides custom synthesis services for AB00411495-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.