CBKinase1_007125
TL;DR: CBKinase1_007125 (CAS 1008965-22-7) is a chemical compound with molecular formula C16H21N3O4S and molecular weight 351.12527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-(3-oxopiperazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_007125, CBKinase1_019525, AB00352417-02, AS-871/42699004, methyl 2-{[(3-oxopiperazin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C16H21N3O4S |
| Molecular Weight | 351.12527 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.12527 Da |
| Heavy Atoms | 24 |
| Complexity | 516.0 |
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NCCN3 |
| InChIKey | MITCBABBSMXUOC-UHFFFAOYSA-N |
Chemical Property Profile of CBKinase1_007125
Property Insights of CBKinase1_007125
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007125. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007125. Following Lipinski's Rule of Five, CBKinase1_007125 has 3 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_007125?
The CAS number of CBKinase1_007125 is 1008965-22-7.
What is the molecular formula of CBKinase1_007125?
The molecular formula of CBKinase1_007125 is C16H21N3O4S.
What is the molecular weight of CBKinase1_007125?
The molecular weight of CBKinase1_007125 is 351.12527 g/mol.
Where can I buy CBKinase1_007125?
You can request a quote for CBKinase1_007125 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CBKinase1_007125?
Yes, CoreyChem provides custom synthesis services for CBKinase1_007125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.