![9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one structure](/static/products/796/796879-44-2.png)
9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
TL;DR: 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one (CAS 796879-44-2) is a chemical compound with molecular formula C22H21N3O5S and molecular weight 439.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxy-3-(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)propyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one, 2-(2-hydroxy-3-(2-methyl-1-oxo-3,4-dihydro-1H-pyrido[3,4-b]indol-9(2H)-yl)propyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[2-hydroxy-3-(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)propyl]-1,1-dioxo-1,2-benzothiazol-3-one
| Molecular Formula | C22H21N3O5S |
|---|---|
| Molecular Weight | 439.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.12018 |
| Heavy Atoms | 31 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 796879-44-2 |
|---|---|
| SMILES | CN1CCC2=C(C1=O)N(C3=CC=CC=C23)CC(CN4C(=O)C5=CC=CC=C5S4(=O)=O)O |
| InChIKey | JGQUYGWGZVKDTB-UHFFFAOYSA-N |
Product Overview
9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one (CAS 796879-44-2), with molecular formula C22H21N3O5S and molecular weight 439.12 g/mol. IUPAC: 2-[2-hydroxy-3-(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)propyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
Property Insights of 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one. Following Lipinski's Rule of Five, 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one 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 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The CAS number of 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is 796879-44-2.
What is the molecular formula of 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The molecular formula of 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is C22H21N3O5S.
What is the molecular weight of 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
The molecular weight of 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one is 439.12 g/mol.
Where can I buy 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
You can request a quote for 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 9-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropyl]-2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.