![4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid structure](/static/products/127/127697-57-8.png)
4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid
TL;DR: 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid (CAS 127697-57-8) is a chemical compound with molecular formula C21H22O2S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-en-2-yl]benzoic acid
Also Known As: SRI 7323-78, 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid, 4-[(E)-1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-en-2-yl]benzoic acid, 4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid
| Molecular Formula | C21H22O2S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 5.7187 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.13406 |
| Heavy Atoms | 24 |
| Complexity | 801.0885 |
Chemical Identifiers
| CAS Number | 127697-57-8 |
|---|---|
| SMILES | C/C(=C\C1=CC2=C(C=C1)SCCC2(C)C)/C3=CC=C(C=C3)C(=O)O |
Product Overview
4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid (CAS 127697-57-8), with molecular formula C21H22O2S and molecular weight 338.13 g/mol. IUPAC: 4-[(E)-1-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-en-2-yl]benzoic acid.
Chemical Property Profile of 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid
Property Insights of 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid
The XLogP value of 5.7187 indicates that 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-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 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid?
The CAS number of 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid is 127697-57-8.
What is the molecular formula of 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid?
The molecular formula of 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid is C21H22O2S.
What is the molecular weight of 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid?
The molecular weight of 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid is 338.13 g/mol.
Where can I buy 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid?
You can request a quote for 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4,4-Dimethyl-thiochroman-6-yl)-1-methyl-vinyl]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.