CBKinase1_001760
TL;DR: CBKinase1_001760 (CAS 519012-49-8) is a chemical compound with molecular formula C22H26N2O6S2 and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxybenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_001760, CBKinase1_014160, AF-399/41493309, BRD-A21138888-001-01-5, 2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H26N2O6S2 |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 2.8133 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.12323 |
| Heavy Atoms | 32 |
| Complexity | 1155.4111 |
Chemical Identifiers
| CAS Number | 519012-49-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4CCS(=O)(=O)C4)OC |
Product Overview
CBKinase1_001760 (CAS 519012-49-8), with molecular formula C22H26N2O6S2 and molecular weight 478.12 g/mol. IUPAC: 2-[(3,4-dimethoxybenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_001760
Property Insights of CBKinase1_001760
The XLogP value of 2.8133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_001760. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001760. Following Lipinski's Rule of Five, CBKinase1_001760 has 2 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_001760?
The CAS number of CBKinase1_001760 is 519012-49-8.
What is the molecular formula of CBKinase1_001760?
The molecular formula of CBKinase1_001760 is C22H26N2O6S2.
What is the molecular weight of CBKinase1_001760?
The molecular weight of CBKinase1_001760 is 478.12 g/mol.
Where can I buy CBKinase1_001760?
You can request a quote for CBKinase1_001760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001760?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.