Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate
TL;DR: Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate (CAS 705286-61-9) is a chemical compound with molecular formula C23H28N4O5S and molecular weight 472.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[1-[(4-butylphenyl)carbamoyl]-3-oxopiperazin-2-yl]acetyl]amino]thiophene-2-carboxylate
Also Known As: Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate, methyl 3-(2-{1-[(4-butylphenyl)carbamoyl]-3-oxopiperazin-2-yl}acetamido)thiophene-2-carboxylate, methyl 3-[(2-{1-[(4-butylanilino)carbonyl]-3-oxo-2-piperazinyl}acetyl)amino]-2-thiophenecarboxylate, methyl 3-[[2-[1-[(4-butylphenyl)carbamoyl]-3-oxopiperazin-2-yl]acetyl]amino]thiophene-2-carboxylate, Methyl3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate
| Molecular Formula | C23H28N4O5S |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 3.2384 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.17804 |
| Heavy Atoms | 33 |
| Complexity | 1004.53564 |
Chemical Identifiers
| CAS Number | 705286-61-9 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)N2CCNC(=O)C2CC(=O)NC3=C(SC=C3)C(=O)OC |
Product Overview
Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate (CAS 705286-61-9), with molecular formula C23H28N4O5S and molecular weight 472.18 g/mol. IUPAC: methyl 3-[[2-[1-[(4-butylphenyl)carbamoyl]-3-oxopiperazin-2-yl]acetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate
Property Insights of Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate
The XLogP value of 3.2384 indicates that Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate has 3 hydrogen bond donor(s) and 6 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-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate?
The CAS number of Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate is 705286-61-9.
What is the molecular formula of Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate?
The molecular formula of Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate is C23H28N4O5S.
What is the molecular weight of Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate?
The molecular weight of Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate is 472.18 g/mol.
Where can I buy Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate?
You can request a quote for Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)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-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-(1-((4-butylphenyl)carbamoyl)-3-oxopiperazin-2-yl)acetamido)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.