2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
TL;DR: 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol (CAS 5218-93-9) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-7-ol
Also Known As: 2-Phenyl-3-formyl-pyrrole, 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol, 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-7-ol, J2.791.775E, 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-ol
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 5218-93-9 |
|---|---|
| SMILES | CCC1=C(C(OC2=C1C=CC(=C2)O)(C)C)C3=CC=C(C=C3)OC |
| InChIKey | YHXWLHMIDZAYPE-UHFFFAOYSA-N |
Product Overview
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol (CAS 5218-93-9), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-7-ol.
Chemical Property Profile of 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
Property Insights of 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
The XLogP value of 4.0 indicates that 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol 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 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol?
The CAS number of 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol is 5218-93-9.
What is the molecular formula of 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol?
The molecular formula of 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol is C20H22O3.
What is the molecular weight of 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol?
The molecular weight of 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol is 310.16 g/mol.
Where can I buy 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol?
You can request a quote for 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.