2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine
TL;DR: 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine (CAS 112302-59-7) is a chemical compound with molecular formula C26H26N2O3S and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate
Also Known As: 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine, 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((diphenylacetyl)amino)-,ethyl ester, ethyl 2-[(diphenylacetyl)amino]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate, ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate, ethyl 4-[(diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-diene-5-carboxylate hydrochloride
| Molecular Formula | C26H26N2O3S |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 5.3928 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1664 |
| Heavy Atoms | 32 |
| Complexity | 1079.2335 |
Chemical Identifiers
| CAS Number | 112302-59-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine (CAS 112302-59-7), with molecular formula C26H26N2O3S and molecular weight 446.17 g/mol. IUPAC: ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate.
Chemical Property Profile of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine
Property Insights of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine
The XLogP value of 5.3928 indicates that 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
The CAS number of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine is 112302-59-7.
What is the molecular formula of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
The molecular formula of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine is C26H26N2O3S.
What is the molecular weight of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
The molecular weight of 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine is 446.17 g/mol.
Where can I buy 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
You can request a quote for 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.