![Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate structure](/static/products/401/40107-52-6.png)
Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate
TL;DR: Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate (CAS 40107-52-6) is a chemical compound with molecular formula C13H21NO2S2 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate
Also Known As: ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate, Ethyl 7-[(4-methyl-2-thiazolyl)thio]heptanoate, Heptanoic acid, 7-[(4-methyl-2-thiazolyl)thio]-, ethyl ester
| Molecular Formula | C13H21NO2S2 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 4.05722 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 287.10138 |
| Heavy Atoms | 18 |
| Complexity | 352.51538 |
Chemical Identifiers
| CAS Number | 40107-52-6 |
|---|---|
| SMILES | CCOC(=O)CCCCCCSC1=NC(=CS1)C |
Product Overview
Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate (CAS 40107-52-6), with molecular formula C13H21NO2S2 and molecular weight 287.10 g/mol. IUPAC: ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate.
Chemical Property Profile of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate
Property Insights of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate
The XLogP value of 4.05722 indicates that Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate?
The CAS number of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate is 40107-52-6.
What is the molecular formula of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate?
The molecular formula of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate is C13H21NO2S2.
What is the molecular weight of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate?
The molecular weight of Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate is 287.10 g/mol.
Where can I buy Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate?
You can request a quote for Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.