Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate
TL;DR: Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate (CAS 88579-35-5) is a chemical compound with molecular formula C23H26O2S and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(Z)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate
Also Known As: Edtcpb, Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate, ethyl 4-[(Z)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate, RefChem:138734
| Molecular Formula | C23H26O2S |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 6.1972 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.16534 |
| Heavy Atoms | 26 |
| Complexity | 831.7864 |
Chemical Identifiers
| CAS Number | 88579-35-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)/C=C(/C)\C2=CC3=C(C=C2)SCCC3(C)C |
Product Overview
Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate (CAS 88579-35-5), with molecular formula C23H26O2S and molecular weight 366.17 g/mol. IUPAC: ethyl 4-[(Z)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate.
Chemical Property Profile of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate
Property Insights of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate
The XLogP value of 6.1972 indicates that Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate?
The CAS number of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate is 88579-35-5.
What is the molecular formula of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate?
The molecular formula of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate is C23H26O2S.
What is the molecular weight of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate?
The molecular weight of Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate is 366.17 g/mol.
Where can I buy Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate?
You can request a quote for Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.