CBKinase1_004782
TL;DR: CBKinase1_004782 (CAS 578752-33-7) is a chemical compound with molecular formula C19H18N2O6S2 and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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_004782, CBKinase1_017182, BAS 06740319, BRD-K46299616-001-01-3, methyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H18N2O6S2 |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 2.1967 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.06064 |
| Heavy Atoms | 29 |
| Complexity | 1135.5632 |
Chemical Identifiers
| CAS Number | 578752-33-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
CBKinase1_004782 (CAS 578752-33-7), with molecular formula C19H18N2O6S2 and molecular weight 434.06 g/mol. IUPAC: methyl 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_004782
Property Insights of CBKinase1_004782
The XLogP value of 2.1967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004782. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004782. Following Lipinski's Rule of Five, CBKinase1_004782 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_004782?
The CAS number of CBKinase1_004782 is 578752-33-7.
What is the molecular formula of CBKinase1_004782?
The molecular formula of CBKinase1_004782 is C19H18N2O6S2.
What is the molecular weight of CBKinase1_004782?
The molecular weight of CBKinase1_004782 is 434.06 g/mol.
Where can I buy CBKinase1_004782?
You can request a quote for CBKinase1_004782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004782?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.