Equagesic
TL;DR: Equagesic (CAS 8056-21-1) is a chemical compound with molecular formula C34H49N3O10 and molecular weight 659.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate;ethyl 1-methyl-4-phenylazepane-4-carboxylate
Also Known As: Equagesic, meprobamate, DEA No. 2820, Aspirin mixture with Ethoheptazine and Meprobamate, 2-acetoxybenzoic acid;[2-(carbamoyloxymethyl)-2-methyl-pentyl] carbamate; ethyl 1-methyl-4-phenyl-azepane-4-carboxylate
| Molecular Formula | C34H49N3O10 |
|---|---|
| Molecular Weight | 659.34 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 659.3418 |
| Heavy Atoms | 47 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 8056-21-1 |
|---|---|
| SMILES | CCCC(C)(COC(=O)N)COC(=O)N.CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O |
| InChIKey | UVWMFASQZGQIKP-UHFFFAOYSA-N |
Product Overview
Equagesic (CAS 8056-21-1), with molecular formula C34H49N3O10 and molecular weight 659.34 g/mol. IUPAC: 2-acetyloxybenzoic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate;ethyl 1-methyl-4-phenylazepane-4-carboxylate.
Chemical Property Profile of Equagesic
Property Insights of Equagesic
The XLogP value of 4.9 indicates that Equagesic is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting Equagesic may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Equagesic has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Equagesic?
The CAS number of Equagesic is 8056-21-1.
What is the molecular formula of Equagesic?
The molecular formula of Equagesic is C34H49N3O10.
What is the molecular weight of Equagesic?
The molecular weight of Equagesic is 659.34 g/mol.
Where can I buy Equagesic?
You can request a quote for Equagesic directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Equagesic?
Yes, KEHONG BIO provides custom synthesis services for Equagesic and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.