(E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid
TL;DR: (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid (CAS 88579-29-7) is a chemical compound with molecular formula C21H22O3 and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoic acid
Also Known As: SR 3994, (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid, (E)-4-(2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)-1-propenyl)benzoic acid, Benzoic acid, 4-(2-(3,4-dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)-1-propenyl)-, (E)-, 4-[2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-benzoic acid
| Molecular Formula | C21H22O3 |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 5.0054 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1569 |
| Heavy Atoms | 24 |
| Complexity | 798.3336 |
Chemical Identifiers
| CAS Number | 88579-29-7 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)OCCC3(C)C |
Product Overview
(E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid (CAS 88579-29-7), with molecular formula C21H22O3 and molecular weight 322.16 g/mol. IUPAC: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoic acid.
Chemical Property Profile of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid
Property Insights of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid
The XLogP value of 5.0054 indicates that (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid?
The CAS number of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid is 88579-29-7.
What is the molecular formula of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid?
The molecular formula of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid is C21H22O3.
What is the molecular weight of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid?
The molecular weight of (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid is 322.16 g/mol.
Where can I buy (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid?
You can request a quote for (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.