3-甲基茚-2-甲酸
TL;DR: 3-甲基茚-2-甲酸 (CAS 34225-81-5) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基茚-2-甲酸
3-methyl-1H-indene-2-carboxylic acid
Also Known As: 3-Methylindene-2-carboxylic acid, 3-Methyl-1H-indene-2-carboxylic acid, 2-Chloro-6-methylphenol, 3-methyl-indene-2-carboxylic acid, 1H-Indene-2-carboxylic acid, 3-methyl-
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 34225-81-5 |
|---|---|
| SMILES | CC1=C(CC2=CC=CC=C12)C(=O)O |
| InChIKey | RONBYWGSEXDEKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基茚-2-甲酸 (CAS 34225-81-5), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 3-methyl-1H-indene-2-carboxylic acid.
Chemical Property Profile of 3-甲基茚-2-甲酸
Property Insights of 3-甲基茚-2-甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基茚-2-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-甲基茚-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基茚-2-甲酸 has 1 hydrogen bond donor(s) and 2 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 3-甲基茚-2-甲酸?
The CAS number of 3-甲基茚-2-甲酸 is 34225-81-5.
What is the molecular formula of 3-甲基茚-2-甲酸?
The molecular formula of 3-甲基茚-2-甲酸 is C11H10O2.
What is the molecular weight of 3-甲基茚-2-甲酸?
The molecular weight of 3-甲基茚-2-甲酸 is 174.07 g/mol.
Where can I buy 3-甲基茚-2-甲酸?
You can request a quote for 3-甲基茚-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基茚-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基茚-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.