![1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- structure](/static/products/1236/123658-17-3.webp)
1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-
TL;DR: 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- (CAS 123658-17-3) is a chemical compound with molecular formula C17H14O5S and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenoxy)sulfonyl-3H-indene-1-carboxylic acid
Also Known As: 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-, J3.437.529A, 7-[(4-Methylphenoxy)sulfonyl]-1H-indene-3-carboxylic acid, 4-(4-methylphenoxy)sulfonyl-3H-indene-1-carboxylic acid, 3-H-Inden,1-carboxy-4-sulfonic acid, 4-methylphenyl ester
| Molecular Formula | C17H14O5S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.05618 |
| Heavy Atoms | 23 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 123658-17-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2CC=C3C(=O)O |
| InChIKey | VDFAVVGRKSTTHW-UHFFFAOYSA-N |
Product Overview
1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- (CAS 123658-17-3), with molecular formula C17H14O5S and molecular weight 330.06 g/mol. IUPAC: 4-(4-methylphenoxy)sulfonyl-3H-indene-1-carboxylic acid.
Chemical Property Profile of 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-
Property Insights of 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-
The XLogP value of 3.4 indicates that 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-. Following Lipinski's Rule of Five, 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- has 1 hydrogen bond donor(s) and 5 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-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-?
The CAS number of 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- is 123658-17-3.
What is the molecular formula of 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-?
The molecular formula of 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- is C17H14O5S.
What is the molecular weight of 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-?
The molecular weight of 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- is 330.06 g/mol.
Where can I buy 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-?
You can request a quote for 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-3-carboxylic acid, 7-[(4-methylphenoxy)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.