1,4-Acetyldeoxyephedrine
TL;DR: 1,4-Acetyldeoxyephedrine (CAS 34145-17-0) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(methylamino)propyl]phenyl]ethanone
Also Known As: 1-p-Acetyldeoxyephedrine, 1,4-Acetyldeoxyephedrine, 1-[4-[2-(methylamino)propyl]phenyl]ethanone, Ethanone, 1-(4-(2-(methylamino)propyl)phenyl)-, (R)-, 1-{4-[2-(Methylamino)propyl]phenyl}ethan-1-one
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.0396 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 302.6027 |
Chemical Identifiers
| CAS Number | 34145-17-0 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)C(=O)C)NC |
Product Overview
1,4-Acetyldeoxyephedrine (CAS 34145-17-0), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 1-[4-[2-(methylamino)propyl]phenyl]ethanone.
Chemical Property Profile of 1,4-Acetyldeoxyephedrine
Property Insights of 1,4-Acetyldeoxyephedrine
The XLogP value of 2.0396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Acetyldeoxyephedrine. With a topological polar surface area (TPSA) of 29.1 Ų, 1,4-Acetyldeoxyephedrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Acetyldeoxyephedrine has 1 hydrogen bond donor(s) and 2 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 1,4-Acetyldeoxyephedrine?
The CAS number of 1,4-Acetyldeoxyephedrine is 34145-17-0.
What is the molecular formula of 1,4-Acetyldeoxyephedrine?
The molecular formula of 1,4-Acetyldeoxyephedrine is C12H17NO.
What is the molecular weight of 1,4-Acetyldeoxyephedrine?
The molecular weight of 1,4-Acetyldeoxyephedrine is 191.13 g/mol.
Where can I buy 1,4-Acetyldeoxyephedrine?
You can request a quote for 1,4-Acetyldeoxyephedrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Acetyldeoxyephedrine?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Acetyldeoxyephedrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.