3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid
TL;DR: 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid (CAS 58821-97-9) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid
Also Known As: Cid 148853, 3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid, 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid, 4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid, 2H-1-Benzopyran-6-butanoic acid, 3,4-dihydro-2,2-dimethyl-
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 58821-97-9 |
|---|---|
| SMILES | CC1(CCC2=C(O1)C=CC(=C2)CCCC(=O)O)C |
| InChIKey | FOWADZKININURO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid (CAS 58821-97-9), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid.
Chemical Property Profile of 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid
Property Insights of 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid
The XLogP value of 3.0 indicates that 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric 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-2,2-dimethyl-2H-1-benzopyran-6-butyric acid?
The CAS number of 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid is 58821-97-9.
What is the molecular formula of 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid?
The molecular formula of 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid is C15H20O3.
What is the molecular weight of 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid?
The molecular weight of 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid is 248.14 g/mol.
Where can I buy 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid?
You can request a quote for 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric 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-2,2-dimethyl-2H-1-benzopyran-6-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.