Protoemetine
TL;DR: Protoemetine (CAS 549-91-7) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde
Also Known As: Protoemetine, (-)-Protoemetine, 2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde, (2R)-3beta-Ethyl-1,3,4,6,7,11bbeta-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizine-2alpha-acetaldehyde, (2R)-3beta-Ethyl-9,10-dimethoxy-1,3,4,6,7,11bbeta-hexahydro-2H-benzo[a]quinolizine-2alpha-acetaldehyde
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 549-91-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC=O)OC)OC |
| InChIKey | BBVFHYCHEWCGBH-ZQIUZPCESA-N |
Product Overview
Protoemetine (CAS 549-91-7), with molecular formula C19H27NO3 and molecular weight 317.20 g/mol. IUPAC: 2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde.
Chemical Property Profile of Protoemetine
Property Insights of Protoemetine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Protoemetine. With a topological polar surface area (TPSA) of 38.8 Ų, Protoemetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Protoemetine has 0 hydrogen bond donor(s) and 4 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 Protoemetine?
The CAS number of Protoemetine is 549-91-7.
What is the molecular formula of Protoemetine?
The molecular formula of Protoemetine is C19H27NO3.
What is the molecular weight of Protoemetine?
The molecular weight of Protoemetine is 317.20 g/mol.
Where can I buy Protoemetine?
You can request a quote for Protoemetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protoemetine?
Yes, KEHONG BIO provides custom synthesis services for Protoemetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.