3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid
TL;DR: 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid (CAS 126463-19-2) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-chromene-4-carboxylic acid
Also Known As: Chroman-4-carboxylic Acid, 4-Chromancarboxylic acid, 3,4-dihydro-2H-1-benzopyran-4-carboxylic acid, chroman-4-carboxylic, 3,4-dihydro-2h-chromene-4-carboxylic acid
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 126463-19-2 |
|---|---|
| SMILES | C1COC2=CC=CC=C2C1C(=O)O |
| InChIKey | RGWHTTALQBHDGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid (CAS 126463-19-2), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3,4-dihydro-2H-chromene-4-carboxylic acid.
Chemical Property Profile of 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid
Property Insights of 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid 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 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid?
The CAS number of 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid is 126463-19-2.
What is the molecular formula of 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid?
The molecular formula of 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid is C10H10O3.
What is the molecular weight of 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid?
The molecular weight of 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid is 178.06 g/mol.
Where can I buy 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid?
You can request a quote for 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2H-1-benzopyran-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.