CBKinase1_009782
TL;DR: CBKinase1_009782 (CAS 484654-68-4) is a chemical compound with molecular formula C14H18N4O3S2 and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: CBKinase1_009782, CBKinase1_022182, AP-853/42935658, BRD-K94393526-001-01-4, ethyl 4,5-dimethyl-2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
| Molecular Formula | C14H18N4O3S2 |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 2.40094 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.08203 |
| Heavy Atoms | 23 |
| Complexity | 723.67596 |
Chemical Identifiers
| CAS Number | 484654-68-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=CN2C |
Product Overview
CBKinase1_009782 (CAS 484654-68-4), with molecular formula C14H18N4O3S2 and molecular weight 354.08 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_009782
Property Insights of CBKinase1_009782
The XLogP value of 2.40094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_009782. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009782. Following Lipinski's Rule of Five, CBKinase1_009782 has 1 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_009782?
The CAS number of CBKinase1_009782 is 484654-68-4.
What is the molecular formula of CBKinase1_009782?
The molecular formula of CBKinase1_009782 is C14H18N4O3S2.
What is the molecular weight of CBKinase1_009782?
The molecular weight of CBKinase1_009782 is 354.08 g/mol.
Where can I buy CBKinase1_009782?
You can request a quote for CBKinase1_009782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009782?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.