Ethoheptazine citrate
TL;DR: Ethoheptazine citrate (CAS 6700-56-7) is a chemical compound with molecular formula C22H31NO9 and molecular weight 453.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-4-phenylazepane-4-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Ethoheptazine citrate, Zactane citrate, Ethoheptazine citrate (1:1), 6700-56-7 (citrate), Ethoheptazine citrate (JAN)
| Molecular Formula | C22H31NO9 |
|---|---|
| Molecular Weight | 453.20 g/mol |
| LogP | 1.35 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.1999 |
| Heavy Atoms | 32 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 6700-56-7 |
|---|---|
| SMILES | CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | KCVHFFSPDODYOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethoheptazine citrate (CAS 6700-56-7), with molecular formula C22H31NO9 and molecular weight 453.20 g/mol. IUPAC: ethyl 1-methyl-4-phenylazepane-4-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Ethoheptazine citrate
Property Insights of Ethoheptazine citrate
The XLogP value of 1.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoheptazine citrate. The TPSA of 162.0 Ų indicates high polarity, suggesting Ethoheptazine citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethoheptazine citrate has 4 hydrogen bond donor(s) and 10 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 Ethoheptazine citrate?
The CAS number of Ethoheptazine citrate is 6700-56-7.
What is the molecular formula of Ethoheptazine citrate?
The molecular formula of Ethoheptazine citrate is C22H31NO9.
What is the molecular weight of Ethoheptazine citrate?
The molecular weight of Ethoheptazine citrate is 453.20 g/mol.
Where can I buy Ethoheptazine citrate?
You can request a quote for Ethoheptazine citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoheptazine citrate?
Yes, KEHONG BIO provides custom synthesis services for Ethoheptazine citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.