CBKinase1_004714
TL;DR: CBKinase1_004714 (CAS 578747-83-8) is a chemical compound with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_004714, CBKinase1_017114, BAS 07001881, BRD-K92085963-001-01-8, N-(4-methoxyphenyl)-2-((5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C16H15N5O2S |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 2.6061 |
| Topological Polar Surface Area | 92.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.09464 |
| Heavy Atoms | 24 |
| Complexity | 804.8498 |
Chemical Identifiers
| CAS Number | 578747-83-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3 |
Product Overview
CBKinase1_004714 (CAS 578747-83-8), with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol. IUPAC: N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004714
Property Insights of CBKinase1_004714
The XLogP value of 2.6061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004714. The TPSA of 92.79 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004714. Following Lipinski's Rule of Five, CBKinase1_004714 has 2 hydrogen bond donor(s) and 6 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_004714?
The CAS number of CBKinase1_004714 is 578747-83-8.
What is the molecular formula of CBKinase1_004714?
The molecular formula of CBKinase1_004714 is C16H15N5O2S.
What is the molecular weight of CBKinase1_004714?
The molecular weight of CBKinase1_004714 is 341.09 g/mol.
Where can I buy CBKinase1_004714?
You can request a quote for CBKinase1_004714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004714?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.