CBKinase1_006060
TL;DR: CBKinase1_006060 (CAS 700354-56-9) is a chemical compound with molecular formula C17H14ClN5O4S and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
Also Known As: CBKinase1_006060, CBKinase1_018460, BAS 07324821, BRD-K02389932-001-01-1, 4-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid
| Molecular Formula | C17H14ClN5O4S |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 2.7533 |
| Topological Polar Surface Area | 119.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.0455 |
| Heavy Atoms | 28 |
| Complexity | 1009.0373 |
Chemical Identifiers
| CAS Number | 700354-56-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O |
Product Overview
CBKinase1_006060 (CAS 700354-56-9), with molecular formula C17H14ClN5O4S and molecular weight 419.05 g/mol. IUPAC: 4-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoic acid.
Chemical Property Profile of CBKinase1_006060
Property Insights of CBKinase1_006060
The XLogP value of 2.7533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006060. The TPSA of 119.23 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006060. Following Lipinski's Rule of Five, CBKinase1_006060 has 2 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_006060?
The CAS number of CBKinase1_006060 is 700354-56-9.
What is the molecular formula of CBKinase1_006060?
The molecular formula of CBKinase1_006060 is C17H14ClN5O4S.
What is the molecular weight of CBKinase1_006060?
The molecular weight of CBKinase1_006060 is 419.05 g/mol.
Where can I buy CBKinase1_006060?
You can request a quote for CBKinase1_006060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006060?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.