CBKinase1_002234
TL;DR: CBKinase1_002234 (CAS 1214628-36-0) is a chemical compound with molecular formula C21H27NO5S and molecular weight 405.16098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_002234, CBKinase1_014634, BRD-A42745215-001-01-6, ethyl 2-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C21H27NO5S |
| Molecular Weight | 405.16098 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.16098 Da |
| Heavy Atoms | 28 |
| Complexity | 709.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CCC(C3(C)C)(C(=O)O4)C |
| InChIKey | BIDOEUQXYABINP-UHFFFAOYSA-N |
Chemical Property Profile of CBKinase1_002234
Property Insights of CBKinase1_002234
The XLogP value of 4.7 indicates that CBKinase1_002234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002234. Following Lipinski's Rule of Five, CBKinase1_002234 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
What is the CAS number of CBKinase1_002234?
The CAS number of CBKinase1_002234 is 1214628-36-0.
What is the molecular formula of CBKinase1_002234?
The molecular formula of CBKinase1_002234 is C21H27NO5S.
What is the molecular weight of CBKinase1_002234?
The molecular weight of CBKinase1_002234 is 405.16098 g/mol.
Where can I buy CBKinase1_002234?
You can request a quote for CBKinase1_002234 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CBKinase1_002234?
Yes, CoreyChem provides custom synthesis services for CBKinase1_002234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.