Closiramine Aceturate
TL;DR: Closiramine Aceturate (CAS 36056-90-3) is a chemical compound with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamidoacetic acid;2-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N,N-dimethylethanamine
Also Known As: Closiramine aceturate, Closiramine aceturate [USAN], Sch 12169, Closiramine aceturate (USAN), C18H21ClN2 X C4H7NO3
| Molecular Formula | C22H28ClN3O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 3.1243 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.18192 |
| Heavy Atoms | 29 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 36056-90-3 |
|---|---|
| SMILES | CC(=O)NCC(=O)O.CN(C)CCC1C2=C(CCC3=C1N=CC=C3)C=C(C=C2)Cl |
| InChIKey | OSAUSAZZRQEEES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Closiramine Aceturate (CAS 36056-90-3), with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol. IUPAC: 2-acetamidoacetic acid;2-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N,N-dimethylethanamine.
Chemical Property Profile of Closiramine Aceturate
Property Insights of Closiramine Aceturate
The XLogP value of 3.1243 indicates that Closiramine Aceturate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Closiramine Aceturate. Following Lipinski's Rule of Five, Closiramine Aceturate has 2 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 Closiramine Aceturate?
The CAS number of Closiramine Aceturate is 36056-90-3.
What is the molecular formula of Closiramine Aceturate?
The molecular formula of Closiramine Aceturate is C22H28ClN3O3.
What is the molecular weight of Closiramine Aceturate?
The molecular weight of Closiramine Aceturate is 417.18 g/mol.
Where can I buy Closiramine Aceturate?
You can request a quote for Closiramine Aceturate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Closiramine Aceturate?
Yes, KEHONG BIO provides custom synthesis services for Closiramine Aceturate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.