CBKinase1_005588
TL;DR: CBKinase1_005588 (CAS 575471-18-0) is a chemical compound with molecular formula C16H15ClN4OS2 and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_005588, CBKinase1_017988, BRD-K49622640-001-01-3, N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-2-methylphenyl)-2-(4-methyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio)) acetamide
| Molecular Formula | C16H15ClN4OS2 |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 4.23622 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.03757 |
| Heavy Atoms | 24 |
| Complexity | 861.097 |
Chemical Identifiers
| CAS Number | 575471-18-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3 |
Product Overview
CBKinase1_005588 (CAS 575471-18-0), with molecular formula C16H15ClN4OS2 and molecular weight 378.04 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005588
Property Insights of CBKinase1_005588
The XLogP value of 4.23622 indicates that CBKinase1_005588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_005588 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005588 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_005588?
The CAS number of CBKinase1_005588 is 575471-18-0.
What is the molecular formula of CBKinase1_005588?
The molecular formula of CBKinase1_005588 is C16H15ClN4OS2.
What is the molecular weight of CBKinase1_005588?
The molecular weight of CBKinase1_005588 is 378.04 g/mol.
Where can I buy CBKinase1_005588?
You can request a quote for CBKinase1_005588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005588?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.