7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran
TL;DR: 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran (CAS 115473-68-2) 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)-2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)prop-1-enyl]benzoic acid
Also Known As: 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran, 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)prop-1-enyl]benzoic acid, 4-[(E)-2-[(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran)-7-yl]-1-propenyl]benzoic acid, 7[1-(4-CARBOXYPHENYL)-1E-PROPEN-2-YL)3,4-DIHYDRO-4,4-DIMETHYL-2H-1-BENZOTHIOPYRAN, 4-[(1E)-2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-7-yl)prop-1-en-1-yl]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 | 115473-68-2 |
|---|---|
| SMILES | C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)C(CCS3)(C)C |
Product Overview
7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran (CAS 115473-68-2), with molecular formula C21H22O2S and molecular weight 338.13 g/mol. IUPAC: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)prop-1-enyl]benzoic acid.
Chemical Property Profile of 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran
Property Insights of 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran
The XLogP value of 5.7187 indicates that 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran 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 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran?
The CAS number of 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran is 115473-68-2.
What is the molecular formula of 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran?
The molecular formula of 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran is C21H22O2S.
What is the molecular weight of 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran?
The molecular weight of 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran is 338.13 g/mol.
Where can I buy 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran?
You can request a quote for 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran?
Yes, KEHONG BIO provides custom synthesis services for 7-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.