3-Acetylaminochinuclidin
TL;DR: 3-Acetylaminochinuclidin (CAS 6238-15-9) is a chemical compound with molecular formula C25H25ClN2O7S and molecular weight 532.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: 3-Acetylaminochinuclidin, ChemDiv1_005937, MixCom6_002535, BIM-0047564.P001, A2313/0097583
| Molecular Formula | C25H25ClN2O7S |
|---|---|
| Molecular Weight | 532.11 g/mol |
| LogP | 5.17362 |
| Topological Polar Surface Area | 112.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.1071 |
| Heavy Atoms | 36 |
| Complexity | 1258.0388 |
Chemical Identifiers
| CAS Number | 6238-15-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)OC)OC)NC(=O)COC3=CC=C(C=C3)Cl |
Product Overview
3-Acetylaminochinuclidin (CAS 6238-15-9), with molecular formula C25H25ClN2O7S and molecular weight 532.11 g/mol. IUPAC: ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of 3-Acetylaminochinuclidin
Property Insights of 3-Acetylaminochinuclidin
The XLogP value of 5.17362 indicates that 3-Acetylaminochinuclidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetylaminochinuclidin. Following Lipinski's Rule of Five, 3-Acetylaminochinuclidin has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Acetylaminochinuclidin?
The CAS number of 3-Acetylaminochinuclidin is 6238-15-9.
What is the molecular formula of 3-Acetylaminochinuclidin?
The molecular formula of 3-Acetylaminochinuclidin is C25H25ClN2O7S.
What is the molecular weight of 3-Acetylaminochinuclidin?
The molecular weight of 3-Acetylaminochinuclidin is 532.11 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.