1H-Indole-5-sulfonic acid, 2-methyl-
TL;DR: 1H-Indole-5-sulfonic acid, 2-methyl- (CAS 67786-12-3) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1H-indole-5-sulfonic acid
Also Known As: 2-methyl-1H-indole-5-sulfonic acid, 1H-Indole-5-sulfonic acid, 2-methyl-, 2-Methylindole-5-sulfonic acid, 2-methyl-1h-indole-5-sulfonicacid, RefChem:438756
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 67786-12-3 |
|---|---|
| SMILES | CC1=CC2=C(N1)C=CC(=C2)S(=O)(=O)O |
| InChIKey | OOHJCZBVOJRQOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-5-sulfonic acid, 2-methyl- (CAS 67786-12-3), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 2-methyl-1H-indole-5-sulfonic acid.
Chemical Property Profile of 1H-Indole-5-sulfonic acid, 2-methyl-
Property Insights of 1H-Indole-5-sulfonic acid, 2-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-5-sulfonic acid, 2-methyl-. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-5-sulfonic acid, 2-methyl-. Following Lipinski's Rule of Five, 1H-Indole-5-sulfonic acid, 2-methyl- has 2 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 1H-Indole-5-sulfonic acid, 2-methyl-?
The CAS number of 1H-Indole-5-sulfonic acid, 2-methyl- is 67786-12-3.
What is the molecular formula of 1H-Indole-5-sulfonic acid, 2-methyl-?
The molecular formula of 1H-Indole-5-sulfonic acid, 2-methyl- is C9H9NO3S.
What is the molecular weight of 1H-Indole-5-sulfonic acid, 2-methyl-?
The molecular weight of 1H-Indole-5-sulfonic acid, 2-methyl- is 211.03 g/mol.
Where can I buy 1H-Indole-5-sulfonic acid, 2-methyl-?
You can request a quote for 1H-Indole-5-sulfonic acid, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-5-sulfonic acid, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-5-sulfonic acid, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.