CBKinase1_003947
TL;DR: CBKinase1_003947 (CAS 678985-30-3) is a chemical compound with molecular formula C20H20N2O6S2 and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_003947, CBKinase1_016347, BRD-K79509372-001-01-9, ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H20N2O6S2 |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 2.5868 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.0763 |
| Heavy Atoms | 30 |
| Complexity | 1152.0417 |
Chemical Identifiers
| CAS Number | 678985-30-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
CBKinase1_003947 (CAS 678985-30-3), with molecular formula C20H20N2O6S2 and molecular weight 448.08 g/mol. IUPAC: ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_003947
Property Insights of CBKinase1_003947
The XLogP value of 2.5868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003947. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003947. Following Lipinski's Rule of Five, CBKinase1_003947 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_003947?
The CAS number of CBKinase1_003947 is 678985-30-3.
What is the molecular formula of CBKinase1_003947?
The molecular formula of CBKinase1_003947 is C20H20N2O6S2.
What is the molecular weight of CBKinase1_003947?
The molecular weight of CBKinase1_003947 is 448.08 g/mol.
Where can I buy CBKinase1_003947?
You can request a quote for CBKinase1_003947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003947?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.