methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
TL;DR: methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate (CAS 927625-87-4) is a chemical compound with molecular formula C100H188O28 and molecular weight 1837.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxolan-2-yl]-2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (Z)-octadec-9-enoate
Also Known As: methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate, 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxolan-2-yl]-2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (Z)-octadec-9-enoate
| Molecular Formula | C100H188O28 |
|---|---|
| Molecular Weight | 1837.33 g/mol |
| LogP | 17.5574 |
| Topological Polar Surface Area | 292.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 110 |
| Exact Mass | 1837.3287 |
| Heavy Atoms | 128 |
| Complexity | 2293.769 |
Chemical Identifiers
| CAS Number | 927625-87-4 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCOCCOCCOCCOCC(C1C(C(CO1)OCCOCCOCCOCCOCCOC(=O)CCCCCCC/C=C\CCCCCCCC)OCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate (CAS 927625-87-4), with molecular formula C100H188O28 and molecular weight 1837.33 g/mol. IUPAC: 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxolan-2-yl]-2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (Z)-octadec-9-enoate.
Chemical Property Profile of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
Property Insights of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
The XLogP value of 17.5574 indicates that methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 292.96 Ų indicates high polarity, suggesting methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate?
The CAS number of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate is 927625-87-4.
What is the molecular formula of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate?
The molecular formula of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate is C100H188O28.
What is the molecular weight of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate?
The molecular weight of methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate is 1837.33 g/mol.
Where can I buy methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate?
You can request a quote for methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.