ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate
TL;DR: ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate (CAS 36064-31-0) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate
Also Known As: ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate, ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-, Ethyl 1-(4-methylbenzene-1-sulfonyl)-6-oxo-1,2,3,4,5,6-hexahydro-1-benzazocine-5-carboxylate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 36064-31-0 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | YPXJHDNPOFXQLL-UHFFFAOYSA-N |
Product Overview
ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate (CAS 36064-31-0), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate.
Chemical Property Profile of ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate
Property Insights of ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate
The XLogP value of 3.7 indicates that ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate has 0 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 ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate?
The CAS number of ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate is 36064-31-0.
What is the molecular formula of ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate?
The molecular formula of ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate is C21H23NO5S.
What is the molecular weight of ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate?
The molecular weight of ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate is 401.13 g/mol.
Where can I buy ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate?
You can request a quote for ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.