Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate
TL;DR: Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate (CAS 389065-36-5) is a chemical compound with molecular formula C17H21NO3S and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-tert-butylbenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate
Also Known As: ChemDiv3_001081, IDI1_020047, VU0055940-2, F0326-0519, METHYL 3-(4-TERT-BUTYLBENZAMIDO)-4,5-DIHYDROTHIOPHENE-2-CARBOXYLATE
| Molecular Formula | C17H21NO3S |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.2354 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.1242 |
| Heavy Atoms | 22 |
| Complexity | 611.7864 |
Chemical Identifiers
| CAS Number | 389065-36-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(SCC2)C(=O)OC |
Product Overview
Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate (CAS 389065-36-5), with molecular formula C17H21NO3S and molecular weight 319.12 g/mol. IUPAC: methyl 4-[(4-tert-butylbenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate.
Chemical Property Profile of Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate
Property Insights of Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate
The XLogP value of 3.2354 indicates that Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-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 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate?
The CAS number of Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate is 389065-36-5.
What is the molecular formula of Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate?
The molecular formula of Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate is C17H21NO3S.
What is the molecular weight of Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate?
The molecular weight of Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate is 319.12 g/mol.
Where can I buy Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate?
You can request a quote for Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-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-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-(tert-butyl)benzamido)-4,5-dihydrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.