CBKinase1_007540
TL;DR: CBKinase1_007540 (CAS 957296-31-0) is a chemical compound with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
Also Known As: CBKinase1_007540, CBKinase1_019940, BAS 08978504, BRD-A67817963-001-01-7, BRD-A67817963-001-02-5
| Molecular Formula | C13H13N5O2 |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 1.04962 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.10693 |
| Heavy Atoms | 20 |
| Complexity | 661.65594 |
Chemical Identifiers
| CAS Number | 957296-31-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2CC(=O)N3C=NN=C3N2 |
Product Overview
CBKinase1_007540 (CAS 957296-31-0), with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol. IUPAC: N-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide.
Chemical Property Profile of CBKinase1_007540
Property Insights of CBKinase1_007540
The XLogP value of 1.04962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007540. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007540. Following Lipinski's Rule of Five, CBKinase1_007540 has 2 hydrogen bond donor(s) and 5 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 CBKinase1_007540?
The CAS number of CBKinase1_007540 is 957296-31-0.
What is the molecular formula of CBKinase1_007540?
The molecular formula of CBKinase1_007540 is C13H13N5O2.
What is the molecular weight of CBKinase1_007540?
The molecular weight of CBKinase1_007540 is 271.11 g/mol.
Where can I buy CBKinase1_007540?
You can request a quote for CBKinase1_007540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007540?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.