Macrophylline
TL;DR: Macrophylline (CAS 27841-97-0) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,8R)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 2-methylbut-2-enoate
Also Known As: Macrophylline
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 27841-97-0 |
|---|---|
| SMILES | CC=C(C)C(=O)OC[C@@H]1[C@H]2CCCN2C[C@@H]1O |
| InChIKey | LVZCTOQMFLAKLI-UTUOFQBUSA-N |
Product Overview
Macrophylline (CAS 27841-97-0), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: [(1S,2R,8R)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 2-methylbut-2-enoate.
Chemical Property Profile of Macrophylline
Property Insights of Macrophylline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macrophylline. With a topological polar surface area (TPSA) of 49.8 Ų, Macrophylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Macrophylline has 1 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 Macrophylline?
The CAS number of Macrophylline is 27841-97-0.
What is the molecular formula of Macrophylline?
The molecular formula of Macrophylline is C13H21NO3.
What is the molecular weight of Macrophylline?
The molecular weight of Macrophylline is 239.15 g/mol.
Where can I buy Macrophylline?
You can request a quote for Macrophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrophylline?
Yes, KEHONG BIO provides custom synthesis services for Macrophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.