2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate
TL;DR: 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate (CAS 876400-00-9) is a chemical compound with molecular formula C21H23NO4 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
Also Known As: 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate, [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate, 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
| Molecular Formula | C21H23NO4 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 3.75264 |
| Topological Polar Surface Area | 76.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.16272 |
| Heavy Atoms | 26 |
| Complexity | 891.6563 |
Chemical Identifiers
| CAS Number | 876400-00-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC3=C(CCCC3)C=C2 |
Product Overview
2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate (CAS 876400-00-9), with molecular formula C21H23NO4 and molecular weight 353.16 g/mol. IUPAC: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
Chemical Property Profile of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate
Property Insights of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate
The XLogP value of 3.75264 indicates that 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate. Following Lipinski's Rule of Five, 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate 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 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate?
The CAS number of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate is 876400-00-9.
What is the molecular formula of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate?
The molecular formula of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate is C21H23NO4.
What is the molecular weight of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate?
The molecular weight of 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate is 353.16 g/mol.
Where can I buy 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate?
You can request a quote for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl 5,6,7,8-tetrahydro-2-naphthalenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.