2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
TL;DR: 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate (CAS 5220-70-2) is a chemical compound with molecular formula C27H34O4 and molecular weight 422.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dibutyl-3-(4-methoxyphenyl)-4-methylchromen-7-yl] acetate
Also Known As: 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate, J2.791.799B, [2,2-dibutyl-3-(4-methoxyphenyl)-4-methylchromen-7-yl] acetate, 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2h-chromen-7-yl acetate, 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-yl acetate
| Molecular Formula | C27H34O4 |
|---|---|
| Molecular Weight | 422.25 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.2457 |
| Heavy Atoms | 31 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 5220-70-2 |
|---|---|
| SMILES | CCCCC1(C(=C(C2=C(O1)C=C(C=C2)OC(=O)C)C)C3=CC=C(C=C3)OC)CCCC |
| InChIKey | CETLNFWQTHLCEA-UHFFFAOYSA-N |
Product Overview
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate (CAS 5220-70-2), with molecular formula C27H34O4 and molecular weight 422.25 g/mol. IUPAC: [2,2-dibutyl-3-(4-methoxyphenyl)-4-methylchromen-7-yl] acetate.
Chemical Property Profile of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Property Insights of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
The XLogP value of 6.5 indicates that 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate?
The CAS number of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate is 5220-70-2.
What is the molecular formula of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate?
The molecular formula of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate is C27H34O4.
What is the molecular weight of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate?
The molecular weight of 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate is 422.25 g/mol.
Where can I buy 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate?
You can request a quote for 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.