Ephedrine acefyllinate
TL;DR: Ephedrine acefyllinate (CAS 29701-08-4) is a chemical compound with molecular formula C19H25N5O5 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
Also Known As: Ephedrine acefyllinate, Teofilino-7-octanefedryny, Ephedrine theophylline 7-acetate, Teofilino-7-octanefedryny [Polish], EPHEDRINE ACEFYLLINATE [WHO-DD]
| Molecular Formula | C19H25N5O5 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | -0.15 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.18558 |
| Heavy Atoms | 29 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 29701-08-4 |
|---|---|
| SMILES | C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O |
| InChIKey | YSIIKGUQUONBTG-GNAZCLTHSA-N |
Product Overview
Ephedrine acefyllinate (CAS 29701-08-4), with molecular formula C19H25N5O5 and molecular weight 403.19 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol.
Chemical Property Profile of Ephedrine acefyllinate
Property Insights of Ephedrine acefyllinate
The XLogP value of -0.15 indicates that Ephedrine acefyllinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ephedrine acefyllinate. Following Lipinski's Rule of Five, Ephedrine acefyllinate has 3 hydrogen bond donor(s) and 7 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 Ephedrine acefyllinate?
The CAS number of Ephedrine acefyllinate is 29701-08-4.
What is the molecular formula of Ephedrine acefyllinate?
The molecular formula of Ephedrine acefyllinate is C19H25N5O5.
What is the molecular weight of Ephedrine acefyllinate?
The molecular weight of Ephedrine acefyllinate is 403.19 g/mol.
Where can I buy Ephedrine acefyllinate?
You can request a quote for Ephedrine acefyllinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ephedrine acefyllinate?
Yes, KEHONG BIO provides custom synthesis services for Ephedrine acefyllinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.