CBKinase1_006871
TL;DR: CBKinase1_006871 (CAS 1008091-78-8) is a chemical compound with molecular formula C17H23N3O4S and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-oxopiperazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_006871, CBKinase1_019271, BRD-A99076892-001-01-8, ethyl 2-(2-(3-oxopiperazin-2-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(3-oxopiperazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H23N3O4S |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 1.2202 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.14093 |
| Heavy Atoms | 25 |
| Complexity | 685.678 |
Chemical Identifiers
| CAS Number | 1008091-78-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NCCN3 |
Product Overview
CBKinase1_006871 (CAS 1008091-78-8), with molecular formula C17H23N3O4S and molecular weight 365.14 g/mol. IUPAC: ethyl 2-[[2-(3-oxopiperazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_006871
Property Insights of CBKinase1_006871
The XLogP value of 1.2202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006871. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006871. Following Lipinski's Rule of Five, CBKinase1_006871 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
Frequently Asked Questions
What is the CAS number of CBKinase1_006871?
The CAS number of CBKinase1_006871 is 1008091-78-8.
What is the molecular formula of CBKinase1_006871?
The molecular formula of CBKinase1_006871 is C17H23N3O4S.
What is the molecular weight of CBKinase1_006871?
The molecular weight of CBKinase1_006871 is 365.14 g/mol.
Where can I buy CBKinase1_006871?
You can request a quote for CBKinase1_006871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006871?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.