Agropine
TL;DR: Agropine (CAS 70699-77-3) is a chemical compound with molecular formula C11H20N2O7 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide
Also Known As: agropine, (1'-Deoxy-D-mannitol-1'-yl)-L-glutamine,1',2'-lactone, 3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide, 1H-Pyrrolo(2,1-c)(1,4)oxazine-1,6(7H)-dione, tetrahydro-3-(1,2,3,4-tetrahydroxybutyl)-, D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, intermol. 1,2-ester, (S)-
| Molecular Formula | C11H20N2O7 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.12704 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 70699-77-3 |
|---|---|
| SMILES | C1[C@@H](OC(=O)[C@@H](N1)CCC(=O)N)[C@H]([C@@H]([C@@H](CO)O)O)O |
| InChIKey | HCWLJSDMOMMDRF-SZWOQXJISA-N |
Product Overview
Agropine (CAS 70699-77-3), with molecular formula C11H20N2O7 and molecular weight 292.13 g/mol. IUPAC: 3-[(3S,6R)-2-oxo-6-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]morpholin-3-yl]propanamide.
Chemical Property Profile of Agropine
Property Insights of Agropine
The XLogP value of -3.7 indicates that Agropine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting Agropine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agropine has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agropine?
The CAS number of Agropine is 70699-77-3.
What is the molecular formula of Agropine?
The molecular formula of Agropine is C11H20N2O7.
What is the molecular weight of Agropine?
The molecular weight of Agropine is 292.13 g/mol.
Where can I buy Agropine?
You can request a quote for Agropine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agropine?
Yes, KEHONG BIO provides custom synthesis services for Agropine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.