AB00672142-01
TL;DR: AB00672142-01 (CAS 863446-81-5) is a chemical compound with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
Also Known As: AB00672142-01, F0679-0180, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-oxo-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
| Molecular Formula | C22H19N5O4 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 1.93572 |
| Topological Polar Surface Area | 100.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1437 |
| Heavy Atoms | 31 |
| Complexity | 1340.5228 |
Chemical Identifiers
| CAS Number | 863446-81-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
AB00672142-01 (CAS 863446-81-5), with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
Chemical Property Profile of AB00672142-01
Property Insights of AB00672142-01
The XLogP value of 1.93572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672142-01. The TPSA of 100.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672142-01. Following Lipinski's Rule of Five, AB00672142-01 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 AB00672142-01?
The CAS number of AB00672142-01 is 863446-81-5.
What is the molecular formula of AB00672142-01?
The molecular formula of AB00672142-01 is C22H19N5O4.
What is the molecular weight of AB00672142-01?
The molecular weight of AB00672142-01 is 417.14 g/mol.
Where can I buy AB00672142-01?
You can request a quote for AB00672142-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672142-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672142-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.