(1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate
TL;DR: (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate (CAS 40755-02-0) is a chemical compound with molecular formula C20H19NO4S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-2,3,4,9-tetrahydrocarbazol-3-yl)methyl 4-methylbenzenesulfonate
Also Known As: KST-1A4667, (1-oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate, (1-oxo-2,3,4,9-tetrahydrocarbazol-3-yl)methyl 4-methylbenzenesulfonate, 3-toluene-4-sulfonyloxymethyl-2,3,4,9-tetrahydro-carbazol-1-one, (1-Oxo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C20H19NO4S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1035 |
| Heavy Atoms | 26 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 40755-02-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3=C(C(=O)C2)NC4=CC=CC=C34 |
| InChIKey | YYHFFDVPTQFQHC-UHFFFAOYSA-N |
Product Overview
(1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate (CAS 40755-02-0), with molecular formula C20H19NO4S and molecular weight 369.10 g/mol. IUPAC: (1-oxo-2,3,4,9-tetrahydrocarbazol-3-yl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate
Property Insights of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate
The XLogP value of 3.7 indicates that (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 4 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 (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate?
The CAS number of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate is 40755-02-0.
What is the molecular formula of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate?
The molecular formula of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate is C20H19NO4S.
What is the molecular weight of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate?
The molecular weight of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate is 369.10 g/mol.
Where can I buy (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate?
You can request a quote for (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.