Cafedrine HCl
TL;DR: Cafedrine HCl (CAS 3039-97-2) is a chemical compound with molecular formula C18H24ClN5O3 and molecular weight 393.16 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;hydrochloride
Also Known As: Cafedrine HCl, Cafedrine hydrochloride, Akrinor, L-Net, Cafedrin hydrochlorid
| Molecular Formula | C18H24ClN5O3 |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 0.5672 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.15677 |
| Heavy Atoms | 27 |
| Complexity | 1025.1385 |
Chemical Identifiers
| CAS Number | 3039-97-2 |
|---|---|
| SMILES | C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl |
Product Overview
Cafedrine HCl (CAS 3039-97-2), with molecular formula C18H24ClN5O3 and molecular weight 393.16 g/mol. IUPAC: 7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of Cafedrine HCl
Property Insights of Cafedrine HCl
The XLogP value of 0.5672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cafedrine HCl. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Cafedrine HCl. Following Lipinski's Rule of Five, Cafedrine HCl 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 HCl?
The CAS number of Cafedrine HCl is 3039-97-2.
What is the molecular formula of Cafedrine HCl?
The molecular formula of Cafedrine HCl is C18H24ClN5O3.
What is the molecular weight of Cafedrine HCl?
The molecular weight of Cafedrine HCl is 393.16 g/mol.
Where can I buy Cafedrine HCl?
You can request a quote for Cafedrine HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cafedrine HCl?
Yes, KEHONG BIO provides custom synthesis services for Cafedrine HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.