![methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate structure](/static/products/898/898419-59-5.png)
methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate
TL;DR: methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate (CAS 898419-59-5) is a chemical compound with molecular formula C18H22N2O5S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]piperidine-4-carboxylate
Also Known As: methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate, methyl 1-((4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl)piperidine-4-carboxylate, 4-methoxycarbonyl-1-piperidyl(oxo)-3-oxo-2a-aza-1,2,4,5-tetrahydro-3H-acenaphthylen-7-yl-lambda-sulfaniumolate, methyl 1-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]piperidine-4-carboxylate
| Molecular Formula | C18H22N2O5S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 1.0956 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.12494 |
| Heavy Atoms | 26 |
| Complexity | 871.8128 |
Chemical Identifiers
| CAS Number | 898419-59-5 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3 |
Product Overview
methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate (CAS 898419-59-5), with molecular formula C18H22N2O5S and molecular weight 378.12 g/mol. IUPAC: methyl 1-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]piperidine-4-carboxylate.
Chemical Property Profile of methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate
Property Insights of methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate
The XLogP value of 1.0956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate?
The CAS number of methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate is 898419-59-5.
What is the molecular formula of methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate?
The molecular formula of methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate is C18H22N2O5S.
What is the molecular weight of methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate?
The molecular weight of methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate is 378.12 g/mol.
Where can I buy methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate?
You can request a quote for methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.