HELEURINE
TL;DR: HELEURINE (CAS 488-00-6) is a chemical compound with molecular formula C16H27NO4 and molecular weight 297.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Also Known As: HELEURINE, Homogentisic acid, O(sup 3)-Methylsupinidine, 4-21-00-00327 (Beilstein Handbook Reference), (2R)-2-Hydroxy-2-[(R)-1-methoxyethyl]-3-methylbutanoic acid [(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ester
| Molecular Formula | C16H27NO4 |
|---|---|
| Molecular Weight | 297.19 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.194 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 488-00-6 |
|---|---|
| SMILES | CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1CCC2)O |
| InChIKey | AORFDVNAPHMKAU-UHFFFAOYSA-N |
Product Overview
HELEURINE (CAS 488-00-6), with molecular formula C16H27NO4 and molecular weight 297.19 g/mol. IUPAC: 5,6,7,8-tetrahydro-3H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate.
Chemical Property Profile of HELEURINE
Property Insights of HELEURINE
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HELEURINE. With a topological polar surface area (TPSA) of 59.0 Ų, HELEURINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, HELEURINE has 1 hydrogen bond donor(s) and 5 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 HELEURINE?
The CAS number of HELEURINE is 488-00-6.
What is the molecular formula of HELEURINE?
The molecular formula of HELEURINE is C16H27NO4.
What is the molecular weight of HELEURINE?
The molecular weight of HELEURINE is 297.19 g/mol.
Where can I buy HELEURINE?
You can request a quote for HELEURINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HELEURINE?
Yes, KEHONG BIO provides custom synthesis services for HELEURINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.