CBKinase1_000840
TL;DR: CBKinase1_000840 (CAS 18204-66-5) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: CBKinase1_000840, CBKinase1_013240, BAS 00782624, BRD-K91184236-001-01-1, {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.1196 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 832.04694 |
Chemical Identifiers
| CAS Number | 18204-66-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O |
Product Overview
CBKinase1_000840 (CAS 18204-66-5), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of CBKinase1_000840
Property Insights of CBKinase1_000840
The XLogP value of 3.1196 indicates that CBKinase1_000840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000840. Following Lipinski's Rule of Five, CBKinase1_000840 has 1 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_000840?
The CAS number of CBKinase1_000840 is 18204-66-5.
What is the molecular formula of CBKinase1_000840?
The molecular formula of CBKinase1_000840 is C17H15N3O3S.
What is the molecular weight of CBKinase1_000840?
The molecular weight of CBKinase1_000840 is 341.08 g/mol.
Where can I buy CBKinase1_000840?
You can request a quote for CBKinase1_000840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000840?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.