AB00411441-03
TL;DR: AB00411441-03 (CAS 852441-33-9) is a chemical compound with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
Also Known As: AB00411441-03, F0679-0299, 2-(1-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-phenethylacetamide, 2-[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide, 2-[1-(4-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
| Molecular Formula | C21H18ClN5O2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 2.5945 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1149 |
| Heavy Atoms | 29 |
| Complexity | 1199.4589 |
Chemical Identifiers
| CAS Number | 852441-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)Cl |
Product Overview
AB00411441-03 (CAS 852441-33-9), with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of AB00411441-03
Property Insights of AB00411441-03
The XLogP value of 2.5945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00411441-03. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00411441-03. Following Lipinski's Rule of Five, AB00411441-03 has 1 hydrogen bond donor(s) and 4 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 AB00411441-03?
The CAS number of AB00411441-03 is 852441-33-9.
What is the molecular formula of AB00411441-03?
The molecular formula of AB00411441-03 is C21H18ClN5O2.
What is the molecular weight of AB00411441-03?
The molecular weight of AB00411441-03 is 407.11 g/mol.
Where can I buy AB00411441-03?
You can request a quote for AB00411441-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00411441-03?
Yes, KEHONG BIO provides custom synthesis services for AB00411441-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.