Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine
TL;DR: Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine (CAS 52387-20-9) is a chemical compound with molecular formula C31H39N5O6 and molecular weight 577.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid
Also Known As: d-Propoxyphene 1-theobromineacetate, Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine, Z.867, Lenigesial 1-carboxymethyl-3,7-dimethylxanthine, [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid
| Molecular Formula | C31H39N5O6 |
|---|---|
| Molecular Weight | 577.29 g/mol |
| LogP | 2.79 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 577.29004 |
| Heavy Atoms | 42 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 52387-20-9 |
|---|---|
| SMILES | CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)O |
| InChIKey | JHWZSCOGSYFEJR-MYXGOWFTSA-N |
Product Overview
Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine (CAS 52387-20-9), with molecular formula C31H39N5O6 and molecular weight 577.29 g/mol. IUPAC: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid.
Chemical Property Profile of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine
Property Insights of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine
The XLogP value of 2.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine. Following Lipinski's Rule of Five, Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine?
The CAS number of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine is 52387-20-9.
What is the molecular formula of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine?
The molecular formula of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine is C31H39N5O6.
What is the molecular weight of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine?
The molecular weight of Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine is 577.29 g/mol.
Where can I buy Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine?
You can request a quote for Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for Propoxyphene 1-carboxymethyl-3,7-dimethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.