ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE
TL;DR: ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE (CAS 1027887-00-8) is a chemical compound with molecular formula C22H25FN2O2S and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE, 6-tert-butyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-2-{[3-(4-fluorophenyl)acryloyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H25FN2O2S |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 4.789 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.16208 |
| Heavy Atoms | 28 |
| Complexity | 923.2488 |
Chemical Identifiers
| CAS Number | 1027887-00-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE (CAS 1027887-00-8), with molecular formula C22H25FN2O2S and molecular weight 400.16 g/mol. IUPAC: 6-tert-butyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE
Property Insights of ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE
The XLogP value of 4.789 indicates that ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE. Following Lipinski's Rule of Five, ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE has 2 hydrogen bond donor(s) and 3 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 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE?
The CAS number of ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE is 1027887-00-8.
What is the molecular formula of ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE?
The molecular formula of ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE is C22H25FN2O2S.
What is the molecular weight of ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE?
The molecular weight of ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE is 400.16 g/mol.
Where can I buy ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE?
You can request a quote for ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 4-(METHOXY(METHYL)AMINO)-4-OXOBUTANOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.