2,3-二氢-7-甲基-1H-茚-4-甲酸
TL;DR: 2,3-二氢-7-甲基-1H-茚-4-甲酸 (CAS 71042-74-5) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氢-7-甲基-1H-茚-4-甲酸
7-methyl-2,3-dihydro-1H-indene-4-carboxylic acid
Also Known As: 7-Methyl-4-indancarboxylic acid, 7-methyl-2,3-dihydro-1H-indene-4-carboxylic acid, 7-methylindane-4-carboxylic acid, 1H-Indene-4-carboxylic acid, 2,3-dihydro-7-methyl-, 2,3-Dihydro-7-methyl-1H-indene-4-carboxylic acid
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 71042-74-5 |
|---|---|
| SMILES | CC1=C2CCCC2=C(C=C1)C(=O)O |
| InChIKey | DLQLABWEWCIZQI-UHFFFAOYSA-N |
Product Overview
2,3-二氢-7-甲基-1H-茚-4-甲酸 (CAS 71042-74-5), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 7-methyl-2,3-dihydro-1H-indene-4-carboxylic acid.
Chemical Property Profile of 2,3-二氢-7-甲基-1H-茚-4-甲酸
Property Insights of 2,3-二氢-7-甲基-1H-茚-4-甲酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氢-7-甲基-1H-茚-4-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2,3-二氢-7-甲基-1H-茚-4-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二氢-7-甲基-1H-茚-4-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 2,3-二氢-7-甲基-1H-茚-4-甲酸?
The CAS number of 2,3-二氢-7-甲基-1H-茚-4-甲酸 is 71042-74-5.
What is the molecular formula of 2,3-二氢-7-甲基-1H-茚-4-甲酸?
The molecular formula of 2,3-二氢-7-甲基-1H-茚-4-甲酸 is C11H12O2.
What is the molecular weight of 2,3-二氢-7-甲基-1H-茚-4-甲酸?
The molecular weight of 2,3-二氢-7-甲基-1H-茚-4-甲酸 is 176.08 g/mol.
Where can I buy 2,3-二氢-7-甲基-1H-茚-4-甲酸?
You can request a quote for 2,3-二氢-7-甲基-1H-茚-4-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氢-7-甲基-1H-茚-4-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氢-7-甲基-1H-茚-4-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.