Neosarranicine
TL;DR: Neosarranicine (CAS 136173-27-8) is a chemical compound with molecular formula C18H27NO5 and molecular weight 337.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate
Also Known As: Neosarranicine, Neosarracine, Sarranicine, Sarracine, [7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate
| Molecular Formula | C18H27NO5 |
|---|---|
| Molecular Weight | 337.19 g/mol |
| LogP | 1.4404 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.18893 |
| Heavy Atoms | 24 |
| Complexity | 539.5272 |
Chemical Identifiers
| CAS Number | 136173-27-8 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1CCN2C1C(CC2)COC(=O)/C(=C/C)/CO |
Product Overview
Neosarranicine (CAS 136173-27-8), with molecular formula C18H27NO5 and molecular weight 337.19 g/mol. IUPAC: [7-[(E)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate.
Chemical Property Profile of Neosarranicine
Property Insights of Neosarranicine
The XLogP value of 1.4404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neosarranicine. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Neosarranicine. Following Lipinski's Rule of Five, Neosarranicine has 1 hydrogen bond donor(s) and 6 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 Neosarranicine?
The CAS number of Neosarranicine is 136173-27-8.
What is the molecular formula of Neosarranicine?
The molecular formula of Neosarranicine is C18H27NO5.
What is the molecular weight of Neosarranicine?
The molecular weight of Neosarranicine is 337.19 g/mol.
Where can I buy Neosarranicine?
You can request a quote for Neosarranicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neosarranicine?
Yes, KEHONG BIO provides custom synthesis services for Neosarranicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.