BRD-K13570345-001-01-4
TL;DR: BRD-K13570345-001-01-4 (CAS 896358-05-7) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
Also Known As: BRD-K13570345-001-01-4, F2669-0125, N-(3,4-dimethoxyphenyl)-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide, N-(3,4-dimethoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide, N-(3,4-dimethoxyphenyl)-3-oxo-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-sulfonamide
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 2.73 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 1031.5519 |
Chemical Identifiers
| CAS Number | 896358-05-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CCC3)OC |
Product Overview
BRD-K13570345-001-01-4 (CAS 896358-05-7), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
Chemical Property Profile of BRD-K13570345-001-01-4
Property Insights of BRD-K13570345-001-01-4
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K13570345-001-01-4. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K13570345-001-01-4. Following Lipinski's Rule of Five, BRD-K13570345-001-01-4 has 1 hydrogen bond donor(s) and 5 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 BRD-K13570345-001-01-4?
The CAS number of BRD-K13570345-001-01-4 is 896358-05-7.
What is the molecular formula of BRD-K13570345-001-01-4?
The molecular formula of BRD-K13570345-001-01-4 is C20H22N2O5S.
What is the molecular weight of BRD-K13570345-001-01-4?
The molecular weight of BRD-K13570345-001-01-4 is 402.12 g/mol.
Where can I buy BRD-K13570345-001-01-4?
You can request a quote for BRD-K13570345-001-01-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K13570345-001-01-4?
Yes, KEHONG BIO provides custom synthesis services for BRD-K13570345-001-01-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.