CBKinase1_009117
TL;DR: CBKinase1_009117 (CAS 690246-90-3) is a chemical compound with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[(4-methyl-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: CBKinase1_009117, CBKinase1_021517, F1651-0050, BRD-K03626750-001-01-4, ETHYL 4,5-DIMETHYL-2-[4-METHYL-3-(PYRROLIDINE-1-SULFONYL)BENZAMIDO]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H26N2O5S2 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 3.88686 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.12833 |
| Heavy Atoms | 30 |
| Complexity | 1083.0566 |
Chemical Identifiers
| CAS Number | 690246-90-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCC3 |
Product Overview
CBKinase1_009117 (CAS 690246-90-3), with molecular formula C21H26N2O5S2 and molecular weight 450.13 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[(4-methyl-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_009117
Property Insights of CBKinase1_009117
The XLogP value of 3.88686 indicates that CBKinase1_009117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009117. Following Lipinski's Rule of Five, CBKinase1_009117 has 1 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_009117?
The CAS number of CBKinase1_009117 is 690246-90-3.
What is the molecular formula of CBKinase1_009117?
The molecular formula of CBKinase1_009117 is C21H26N2O5S2.
What is the molecular weight of CBKinase1_009117?
The molecular weight of CBKinase1_009117 is 450.13 g/mol.
Where can I buy CBKinase1_009117?
You can request a quote for CBKinase1_009117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009117?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.