CBKinase1_005219
TL;DR: CBKinase1_005219 (CAS 700849-26-9) is a chemical compound with molecular formula C18H13N7OS2 and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: CBKinase1_005219, CBKinase1_017619, 2-(1,3-benzothiazol-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, 1-(benzo[d]thiazol-2-yl)-3-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C18H13N7OS2 |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 3.157 |
| Topological Polar Surface Area | 89.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0623 |
| Heavy Atoms | 28 |
| Complexity | 1151.8573 |
Chemical Identifiers
| CAS Number | 700849-26-9 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
CBKinase1_005219 (CAS 700849-26-9), with molecular formula C18H13N7OS2 and molecular weight 407.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of CBKinase1_005219
Property Insights of CBKinase1_005219
The XLogP value of 3.157 indicates that CBKinase1_005219 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005219. Following Lipinski's Rule of Five, CBKinase1_005219 has 0 hydrogen bond donor(s) and 8 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_005219?
The CAS number of CBKinase1_005219 is 700849-26-9.
What is the molecular formula of CBKinase1_005219?
The molecular formula of CBKinase1_005219 is C18H13N7OS2.
What is the molecular weight of CBKinase1_005219?
The molecular weight of CBKinase1_005219 is 407.06 g/mol.
Where can I buy CBKinase1_005219?
You can request a quote for CBKinase1_005219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005219?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.