CBKinase1_010544
TL;DR: CBKinase1_010544 (CAS 827012-65-7) is a chemical compound with molecular formula C21H21N5O2 and molecular weight 375.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-[(3-methoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: CBKinase1_010544, CBKinase1_022944, 6-benzyl-2-[(3-methoxybenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, BRD-K96819043-001-01-0, 6-benzyl-2-((3-methoxybenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
| Molecular Formula | C21H21N5O2 |
|---|---|
| Molecular Weight | 375.17 g/mol |
| LogP | 2.93752 |
| Topological Polar Surface Area | 84.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.16953 |
| Heavy Atoms | 28 |
| Complexity | 1164.6035 |
Chemical Identifiers
| CAS Number | 827012-65-7 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)OC)CC4=CC=CC=C4 |
Product Overview
CBKinase1_010544 (CAS 827012-65-7), with molecular formula C21H21N5O2 and molecular weight 375.17 g/mol. IUPAC: 6-benzyl-2-[(3-methoxyphenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of CBKinase1_010544
Property Insights of CBKinase1_010544
The XLogP value of 2.93752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010544. The TPSA of 84.31 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010544. Following Lipinski's Rule of Five, CBKinase1_010544 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_010544?
The CAS number of CBKinase1_010544 is 827012-65-7.
What is the molecular formula of CBKinase1_010544?
The molecular formula of CBKinase1_010544 is C21H21N5O2.
What is the molecular weight of CBKinase1_010544?
The molecular weight of CBKinase1_010544 is 375.17 g/mol.
Where can I buy CBKinase1_010544?
You can request a quote for CBKinase1_010544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010544?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.