3-Acetylaminochinuclidin
TL;DR: 3-Acetylaminochinuclidin (CAS 6238-27-3) is a chemical compound with molecular formula C21H18FNO4 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-fluorophenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: 3-Acetylaminochinuclidin, methyl 4-[(2-fluorophenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate, METHYL (4Z)-4-[(2-FLUOROPHENYL)METHYLIDENE]-1-(3-METHOXYPHENYL)-2-METHYL-5-OXO-PYRROLE-3-CARBOXYLATE, Methyl 4-[(2-fluorophenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C21H18FNO4 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 3.7115 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.12198 |
| Heavy Atoms | 27 |
| Complexity | 977.65186 |
Chemical Identifiers
| CAS Number | 6238-27-3 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC=CC=C2F)C(=O)N1C3=CC(=CC=C3)OC)C(=O)OC |
Product Overview
3-Acetylaminochinuclidin (CAS 6238-27-3), with molecular formula C21H18FNO4 and molecular weight 367.12 g/mol. IUPAC: methyl 4-[(2-fluorophenyl)methylidene]-1-(3-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of 3-Acetylaminochinuclidin
Property Insights of 3-Acetylaminochinuclidin
The XLogP value of 3.7115 indicates that 3-Acetylaminochinuclidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 3-Acetylaminochinuclidin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylaminochinuclidin has 0 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 3-Acetylaminochinuclidin?
The CAS number of 3-Acetylaminochinuclidin is 6238-27-3.
What is the molecular formula of 3-Acetylaminochinuclidin?
The molecular formula of 3-Acetylaminochinuclidin is C21H18FNO4.
What is the molecular weight of 3-Acetylaminochinuclidin?
The molecular weight of 3-Acetylaminochinuclidin is 367.12 g/mol.
Where can I buy 3-Acetylaminochinuclidin?
You can request a quote for 3-Acetylaminochinuclidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylaminochinuclidin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylaminochinuclidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.