Cafedrine
TL;DR: Cafedrine (CAS 14535-83-2) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Cafedrine, (-)-Cafedrine, Cafedrin, l-Cafedrine, Cafedrinum
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 0.1454 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 1018.96796 |
Chemical Identifiers
| CAS Number | 14535-83-2 |
|---|---|
| SMILES | C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C |
Product Overview
Cafedrine (CAS 14535-83-2), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Cafedrine
Property Insights of Cafedrine
The XLogP value of 0.1454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cafedrine. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Cafedrine. Following Lipinski's Rule of Five, Cafedrine has 2 hydrogen bond donor(s) and 5 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 Cafedrine?
The CAS number of Cafedrine is 14535-83-2.
What is the molecular formula of Cafedrine?
The molecular formula of Cafedrine is C18H23N5O3.
What is the molecular weight of Cafedrine?
The molecular weight of Cafedrine is 357.18 g/mol.
Where can I buy Cafedrine?
You can request a quote for Cafedrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cafedrine?
Yes, KEHONG BIO provides custom synthesis services for Cafedrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.