ECHIMIDINE
TL;DR: ECHIMIDINE (CAS 520-68-3) is a chemical compound with molecular formula C20H31NO7 and molecular weight 397.21 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 (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
| Molecular Formula | C20H31NO7 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.21005 |
| Heavy Atoms | 28 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 520-68-3 |
|---|---|
| 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)O |
| InChIKey | HRSGCYGUWHGOPY-MNFOOTCESA-N |
Product Overview
ECHIMIDINE (CAS 520-68-3), with molecular formula C20H31NO7 and molecular weight 397.21 g/mol. IUPAC: [(7R,8R)-7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate.
Chemical Property Profile of ECHIMIDINE
Property Insights of ECHIMIDINE
The XLogP value of -0.1 indicates that ECHIMIDINE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ECHIMIDINE. Following Lipinski's Rule of Five, ECHIMIDINE has 3 hydrogen bond donor(s) and 8 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 ECHIMIDINE?
The CAS number of ECHIMIDINE is 520-68-3.
What is the molecular formula of ECHIMIDINE?
The molecular formula of ECHIMIDINE is C20H31NO7.
What is the molecular weight of ECHIMIDINE?
The molecular weight of ECHIMIDINE is 397.21 g/mol.
Where can I buy ECHIMIDINE?
You can request a quote for ECHIMIDINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ECHIMIDINE?
Yes, KEHONG BIO provides custom synthesis services for ECHIMIDINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.