Aspirin; caffeine; orphenadrine citrate
TL;DR: Aspirin; caffeine; orphenadrine citrate (CAS 88566-80-7) is a chemical compound with molecular formula C41H49N5O14 and molecular weight 835.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
Also Known As: Norgesic forte, Orphengesic, Invagesic, Norgesic, Orphengesic Forte
| Molecular Formula | C41H49N5O14 |
|---|---|
| Molecular Weight | 835.33 g/mol |
| LogP | 2.69492 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 835.3276 |
| Heavy Atoms | 60 |
| Complexity | 992.0 |
Chemical Identifiers
| CAS Number | 88566-80-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | PQOVMKOIORHXFP-UHFFFAOYSA-N |
Product Overview
Aspirin; caffeine; orphenadrine citrate (CAS 88566-80-7), with molecular formula C41H49N5O14 and molecular weight 835.33 g/mol. IUPAC: 2-acetyloxybenzoic acid;N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Aspirin; caffeine; orphenadrine citrate
Property Insights of Aspirin; caffeine; orphenadrine citrate
The XLogP value of 2.69492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspirin; caffeine; orphenadrine citrate. The TPSA of 267.0 Ų indicates high polarity, suggesting Aspirin; caffeine; orphenadrine citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspirin; caffeine; orphenadrine citrate has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aspirin; caffeine; orphenadrine citrate?
The CAS number of Aspirin; caffeine; orphenadrine citrate is 88566-80-7.
What is the molecular formula of Aspirin; caffeine; orphenadrine citrate?
The molecular formula of Aspirin; caffeine; orphenadrine citrate is C41H49N5O14.
What is the molecular weight of Aspirin; caffeine; orphenadrine citrate?
The molecular weight of Aspirin; caffeine; orphenadrine citrate is 835.33 g/mol.
Where can I buy Aspirin; caffeine; orphenadrine citrate?
You can request a quote for Aspirin; caffeine; orphenadrine citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspirin; caffeine; orphenadrine citrate?
Yes, KEHONG BIO provides custom synthesis services for Aspirin; caffeine; orphenadrine citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.