ChemDiv2_007672
TL;DR: ChemDiv2_007672 (CAS 852441-35-1) is a chemical compound with molecular formula C17H13ClN6O3 and molecular weight 384.07 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-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: ChemDiv2_007672, IDI1_006387, 2-(1-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(5-methylisoxazol-3-yl)acetamide, F0679-0301, 2-[1-(4-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C17H13ClN6O3 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 2.17072 |
| Topological Polar Surface Area | 107.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.07376 |
| Heavy Atoms | 27 |
| Complexity | 1191.5785 |
Chemical Identifiers
| CAS Number | 852441-35-1 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv2_007672 (CAS 852441-35-1), with molecular formula C17H13ClN6O3 and molecular weight 384.07 g/mol. IUPAC: 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of ChemDiv2_007672
Property Insights of ChemDiv2_007672
The XLogP value of 2.17072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_007672. The TPSA of 107.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_007672. Following Lipinski's Rule of Five, ChemDiv2_007672 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 ChemDiv2_007672?
The CAS number of ChemDiv2_007672 is 852441-35-1.
What is the molecular formula of ChemDiv2_007672?
The molecular formula of ChemDiv2_007672 is C17H13ClN6O3.
What is the molecular weight of ChemDiv2_007672?
The molecular weight of ChemDiv2_007672 is 384.07 g/mol.
Where can I buy ChemDiv2_007672?
You can request a quote for ChemDiv2_007672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_007672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_007672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.