C26H29N3O5S
TL;DR: C26H29N3O5S (CAS 374699-98-6) is a chemical compound with molecular formula C26H29N3O5S and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(9,10-dimethoxy-1-oxo-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-13-ylidene)amino]-4-methylbenzenesulfonamide
Also Known As: (E)-N'-(9,10-dimethoxy-1-oxo-3,4,6,7,11b,12-hexahydro-1H-isoquinolino[2,1-a]quinolin-13(2H)-ylidene)-4-methylbenzenesulfonohydrazide, N'-[(13E)-9,10-dimethoxy-1-oxo-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino[2,1-a]quinolin-13-ylidene]-4-methylbenzenesulfonohydrazide
| Molecular Formula | C26H29N3O5S |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 3.65672 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.1828 |
| Heavy Atoms | 35 |
| Complexity | 1345.7874 |
Chemical Identifiers
| CAS Number | 374699-98-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC3C4=CC(=C(C=C4CCN3C5=C2C(=O)CCC5)OC)OC |
Product Overview
C26H29N3O5S (CAS 374699-98-6), with molecular formula C26H29N3O5S and molecular weight 495.18 g/mol. IUPAC: N-[(E)-(9,10-dimethoxy-1-oxo-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-13-ylidene)amino]-4-methylbenzenesulfonamide.
Chemical Property Profile of C26H29N3O5S
Property Insights of C26H29N3O5S
The XLogP value of 3.65672 indicates that C26H29N3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H29N3O5S. Following Lipinski's Rule of Five, C26H29N3O5S 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 C26H29N3O5S?
The CAS number of C26H29N3O5S is 374699-98-6.
What is the molecular formula of C26H29N3O5S?
The molecular formula of C26H29N3O5S is C26H29N3O5S.
What is the molecular weight of C26H29N3O5S?
The molecular weight of C26H29N3O5S is 495.18 g/mol.
Where can I buy C26H29N3O5S?
You can request a quote for C26H29N3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H29N3O5S?
Yes, KEHONG BIO provides custom synthesis services for C26H29N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.