![[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate structure](/static/products/2777/27773-86-0.webp)
[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate
TL;DR: [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate (CAS 27773-86-0) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate
Also Known As: (1R,7AR)-1-HYDROXY-7-({[(2Z)-2-METHYLBUT-2-ENOYL]OXY}METHYL)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-4-IUM-4-OLATE
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 27773-86-0 |
|---|---|
| SMILES | CC=C(C)C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-] |
| InChIKey | HHIPTBVXCKBSAM-QAYQGLBKSA-N |
Product Overview
[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate (CAS 27773-86-0), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate.
Chemical Property Profile of [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate
Property Insights of [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate
The XLogP value of -0.1 indicates that [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate. Following Lipinski's Rule of Five, [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate 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 [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate?
The CAS number of [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate is 27773-86-0.
What is the molecular formula of [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate?
The molecular formula of [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate is C13H19NO4.
What is the molecular weight of [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate?
The molecular weight of [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate is 253.13 g/mol.
Where can I buy [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate?
You can request a quote for [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.