![methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate structure](/static/products/6802/680215-72-9.webp)
methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate
TL;DR: methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate (CAS 680215-72-9) is a chemical compound with molecular formula C22H31NO3S2 and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate
Also Known As: methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate, Acetic acid, 2-[[2-[4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-thiazolyl]ethyl]thio]-, methyl ester, Methyl ({2-[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl}sulfanyl)acetate, methyl 2-[2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate, methyl 2-({2-[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl}sulfanyl)acetate
| Molecular Formula | C22H31NO3S2 |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 5.5594 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.17453 |
| Heavy Atoms | 28 |
| Complexity | 794.033 |
Chemical Identifiers
| CAS Number | 680215-72-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)CCSCC(=O)OC |
Product Overview
methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate (CAS 680215-72-9), with molecular formula C22H31NO3S2 and molecular weight 421.17 g/mol. IUPAC: methyl 2-[2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate.
Chemical Property Profile of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate
Property Insights of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate
The XLogP value of 5.5594 indicates that methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.42 Ų, methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate?
The CAS number of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate is 680215-72-9.
What is the molecular formula of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate?
The molecular formula of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate is C22H31NO3S2.
What is the molecular weight of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate?
The molecular weight of methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate is 421.17 g/mol.
Where can I buy methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate?
You can request a quote for methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(2-{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}ethyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.