Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic
TL;DR: Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic (CAS 81340-07-0) is a chemical compound with molecular formula C18H23NO5 and molecular weight 333.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylbutanoate
Also Known As: PYRROLIZIDINE ALKALOID N-OXIDE, MM-I-54 SEMISYNTHETIC, (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylbutanoate, (7-Hydroxy-4-oxo-3,4,5,6,7,7a-hexahydro-4lambda~5~-pyrrolizin-1-yl)methyl 2-hydroxy-2-phenylbutanoate
| Molecular Formula | C18H23NO5 |
|---|---|
| Molecular Weight | 333.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.15762 |
| Heavy Atoms | 24 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 81340-07-0 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C(=O)OCC2=CC[N+]3(C2C(CC3)O)[O-])O |
| InChIKey | SJOLWQZOAAVHCY-UHFFFAOYSA-N |
Product Overview
Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic (CAS 81340-07-0), with molecular formula C18H23NO5 and molecular weight 333.16 g/mol. IUPAC: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylbutanoate.
Chemical Property Profile of Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic
Property Insights of Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic. Following Lipinski's Rule of Five, Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic 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 Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic?
The CAS number of Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic is 81340-07-0.
What is the molecular formula of Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic?
The molecular formula of Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic is C18H23NO5.
What is the molecular weight of Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic?
The molecular weight of Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic is 333.16 g/mol.
Where can I buy Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic?
You can request a quote for Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolizidine alkaloid N-oxide, MM-I-54 semisynthetic and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.