Propoxyphene carbinol
TL;DR: Propoxyphene carbinol (CAS 37947-49-2) is a chemical compound with molecular formula C26H35NO7 and molecular weight 473.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenylbutan-2-yl] propanoate;propanedioic acid
Also Known As: Propoxyphene carbinol, [4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenylbutan-2-yl] propanoate; propanedioic acid, Propanedioic acid--4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenylbutan-2-yl propanoate (1/1)
| Molecular Formula | C26H35NO7 |
|---|---|
| Molecular Weight | 473.24 g/mol |
| LogP | 3.83 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 473.24136 |
| Heavy Atoms | 34 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 37947-49-2 |
|---|---|
| SMILES | CCC(=O)OC(CC1=CC=CC=C1)(C2=CC(=CC=C2)OC)C(C)CN(C)C.C(C(=O)O)C(=O)O |
| InChIKey | BFCXHWOOMVDKPG-UHFFFAOYSA-N |
Product Overview
Propoxyphene carbinol (CAS 37947-49-2), with molecular formula C26H35NO7 and molecular weight 473.24 g/mol. IUPAC: [4-(dimethylamino)-2-(3-methoxyphenyl)-3-methyl-1-phenylbutan-2-yl] propanoate;propanedioic acid.
Chemical Property Profile of Propoxyphene carbinol
Property Insights of Propoxyphene carbinol
The XLogP value of 3.83 indicates that Propoxyphene carbinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propoxyphene carbinol. Following Lipinski's Rule of Five, Propoxyphene carbinol has 2 hydrogen bond donor(s) and 8 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 Propoxyphene carbinol?
The CAS number of Propoxyphene carbinol is 37947-49-2.
What is the molecular formula of Propoxyphene carbinol?
The molecular formula of Propoxyphene carbinol is C26H35NO7.
What is the molecular weight of Propoxyphene carbinol?
The molecular weight of Propoxyphene carbinol is 473.24 g/mol.
Where can I buy Propoxyphene carbinol?
You can request a quote for Propoxyphene carbinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propoxyphene carbinol?
Yes, KEHONG BIO provides custom synthesis services for Propoxyphene carbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.