CBKinase1_005057
TL;DR: CBKinase1_005057 (CAS 695174-77-7) is a chemical compound with molecular formula C13H10N8OS and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: CBKinase1_005057, CBKinase1_017457, AJ-292/42284738, 5-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, BRD-K67942931-001-01-0
| Molecular Formula | C13H10N8OS |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 0.6856 |
| Topological Polar Surface Area | 106.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.06982 |
| Heavy Atoms | 23 |
| Complexity | 1005.42676 |
Chemical Identifiers
| CAS Number | 695174-77-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N4C(=N3)N=CN4 |
Product Overview
CBKinase1_005057 (CAS 695174-77-7), with molecular formula C13H10N8OS and molecular weight 326.07 g/mol. IUPAC: 5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of CBKinase1_005057
Property Insights of CBKinase1_005057
The XLogP value of 0.6856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005057. The TPSA of 106.65 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005057. Following Lipinski's Rule of Five, CBKinase1_005057 has 1 hydrogen bond donor(s) and 7 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_005057?
The CAS number of CBKinase1_005057 is 695174-77-7.
What is the molecular formula of CBKinase1_005057?
The molecular formula of CBKinase1_005057 is C13H10N8OS.
What is the molecular weight of CBKinase1_005057?
The molecular weight of CBKinase1_005057 is 326.07 g/mol.
Where can I buy CBKinase1_005057?
You can request a quote for CBKinase1_005057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005057?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.