methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate
TL;DR: methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate (CAS 445017-85-6) is a chemical compound with molecular formula C21H25NO3S and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate
Also Known As: methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate, methyl 4-(4-sec-butylphenyl)-2-[(cyclopropylcarbonyl)amino]-5-methyl-3-thiophenecarboxylate, methyl 4-[4-(butan-2-yl)phenyl]-2-[(cyclopropylcarbonyl)amino]-5-methylthiophene-3-carboxylate, methyl 4-(4-(sec-butyl)phenyl)-2-(cyclopropanecarboxamido)-5-methylthiophene-3-carboxylate, METHYL 4-[4-(BUTAN-2-YL)PHENYL]-2-CYCLOPROPANEAMIDO-5-METHYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H25NO3S |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 5.37212 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.15552 |
| Heavy Atoms | 26 |
| Complexity | 818.5269 |
Chemical Identifiers
| CAS Number | 445017-85-6 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3CC3)C |
Product Overview
methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate (CAS 445017-85-6), with molecular formula C21H25NO3S and molecular weight 371.16 g/mol. IUPAC: methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate
Property Insights of methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate
The XLogP value of 5.37212 indicates that methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate has 1 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 methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate?
The CAS number of methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate is 445017-85-6.
What is the molecular formula of methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate is C21H25NO3S.
What is the molecular weight of methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate is 371.16 g/mol.
Where can I buy methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.