RefChem:336272
TL;DR: RefChem:336272 (CAS 133472-24-9) is a chemical compound with molecular formula C17H18O2S2 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-methyl (1R,3S)-3-(2,2-dithiophen-2-ylethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(2,2-di-2-thienylethenyl)-2,2-dimethyl-, methyl ester, cis-, Methyl (1R,3R)-3-(2,2-dithiophen-2-ylethenyl)-2,2-dimethyl-cyclopropane-1-carboxylate, methyl (1R,3S)-3-(2,2-dithiophen-2-ylethenyl)-2,2-dimethylcyclopropane-1-carboxylate, Methyl 3-[2,2-di(thiophen-2-yl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate, methyl cis-3-(2,2-di(2-thienyl)ethenyl)-2,2-dimethylcyclopropanecarboxylate
| Molecular Formula | C17H18O2S2 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.07483 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 133472-24-9 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)OC)C=C(C2=CC=CS2)C3=CC=CS3)C |
| InChIKey | WUCYYCWKYCPWPP-WFASDCNBSA-N |
Product Overview
RefChem:336272 (CAS 133472-24-9), with molecular formula C17H18O2S2 and molecular weight 318.07 g/mol. IUPAC: trans-methyl (1R,3S)-3-(2,2-dithiophen-2-ylethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of RefChem:336272
Property Insights of RefChem:336272
The XLogP value of 5.7 indicates that RefChem:336272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:336272. Following Lipinski's Rule of Five, RefChem:336272 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:336272?
The CAS number of RefChem:336272 is 133472-24-9.
What is the molecular formula of RefChem:336272?
The molecular formula of RefChem:336272 is C17H18O2S2.
What is the molecular weight of RefChem:336272?
The molecular weight of RefChem:336272 is 318.07 g/mol.
Where can I buy RefChem:336272?
You can request a quote for RefChem:336272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336272?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.