2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate
TL;DR: 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate (CAS 40755-05-3) is a chemical compound with molecular formula C20H21NO3S and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate
Also Known As: (1,2,3,4-tetrahydro-carbazol-3-yl)-methanol, 2,3,4,9-tetrahydro-1h-carbazol-3-ylmethyl 4-methylbenzenesulfonate, 3-Hydroxymethyl-1,2,3,4-tetrahydrocarbazol-p-toluolsulfonat, 1H-Carbazole-3-methanol,2,3,4,9-tetrahydro-, 3-(4-methylbenzenesulfonate)
| Molecular Formula | C20H21NO3S |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.1242 |
| Heavy Atoms | 25 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 40755-05-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(C2)C4=CC=CC=C4N3 |
| InChIKey | XBHFGSVNMRHGPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate (CAS 40755-05-3), with molecular formula C20H21NO3S and molecular weight 355.12 g/mol. IUPAC: 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate
Property Insights of 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate
The XLogP value of 4.3 indicates that 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 3 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 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate?
The CAS number of 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate is 40755-05-3.
What is the molecular formula of 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate?
The molecular formula of 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate is C20H21NO3S.
What is the molecular weight of 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate?
The molecular weight of 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate is 355.12 g/mol.
Where can I buy 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate?
You can request a quote for 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,9-tetrahydro-1H-carbazol-3-ylmethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.