CBKinase1_010037
TL;DR: CBKinase1_010037 (CAS 824976-53-6) is a chemical compound with molecular formula C15H14N6O3 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(3-nitrophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: CBKinase1_010037, CBKinase1_022437, BRD-K41831211-001-01-7, 2-[(3-nitrobenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-((3-nitrobenzyl)amino)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one
| Molecular Formula | C15H14N6O3 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 1.4266 |
| Topological Polar Surface Area | 118.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.11273 |
| Heavy Atoms | 24 |
| Complexity | 1006.1023 |
Chemical Identifiers
| CAS Number | 824976-53-6 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3N=C(NN3C2=O)NCC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_010037 (CAS 824976-53-6), with molecular formula C15H14N6O3 and molecular weight 326.11 g/mol. IUPAC: 11-[(3-nitrophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of CBKinase1_010037
Property Insights of CBKinase1_010037
The XLogP value of 1.4266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010037. The TPSA of 118.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010037. Following Lipinski's Rule of Five, CBKinase1_010037 has 2 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 CBKinase1_010037?
The CAS number of CBKinase1_010037 is 824976-53-6.
What is the molecular formula of CBKinase1_010037?
The molecular formula of CBKinase1_010037 is C15H14N6O3.
What is the molecular weight of CBKinase1_010037?
The molecular weight of CBKinase1_010037 is 326.11 g/mol.
Where can I buy CBKinase1_010037?
You can request a quote for CBKinase1_010037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010037?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.