Symlandine
TL;DR: Symlandine (CAS 22571-95-5) is a chemical compound with molecular formula C20H31NO6 and molecular weight 381.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Also Known As: Symlandine
| Molecular Formula | C20H31NO6 |
|---|---|
| Molecular Weight | 381.22 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 381.21515 |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 22571-95-5 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O |
| InChIKey | MVWPTZQHBOWRTF-MCNSXXNHSA-N |
Product Overview
Symlandine (CAS 22571-95-5), with molecular formula C20H31NO6 and molecular weight 381.22 g/mol. IUPAC: [(7R,8R)-7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate.
Chemical Property Profile of Symlandine
Property Insights of Symlandine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Symlandine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Symlandine. Following Lipinski's Rule of Five, Symlandine has 2 hydrogen bond donor(s) and 7 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 Symlandine?
The CAS number of Symlandine is 22571-95-5.
What is the molecular formula of Symlandine?
The molecular formula of Symlandine is C20H31NO6.
What is the molecular weight of Symlandine?
The molecular weight of Symlandine is 381.22 g/mol.
Where can I buy Symlandine?
You can request a quote for Symlandine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Symlandine?
Yes, KEHONG BIO provides custom synthesis services for Symlandine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.