Dysiherbaine
TL;DR: Dysiherbaine (CAS 185245-55-0) is a chemical compound with molecular formula C12H20N2O7 and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylic acid
Also Known As: dysiherbaine, Dysiherbaine A, (-)-dysiherbaine, (2r,3ar,6s,7r,7ar)-2-[(2s)-2-Amino-2-Carboxyethyl]-6-Hydroxy-7-(Methylamino)hexahydro-2h-Furo[3,2-B]pyran-2-Carboxylic Acid, (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)-hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
| Molecular Formula | C12H20N2O7 |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | -2.2516 |
| Topological Polar Surface Area | 151.34 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.12704 |
| Heavy Atoms | 21 |
| Complexity | 431.829 |
Chemical Identifiers
| CAS Number | 185245-55-0 |
|---|---|
| SMILES | CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O |
Product Overview
Dysiherbaine (CAS 185245-55-0), with molecular formula C12H20N2O7 and molecular weight 304.13 g/mol. IUPAC: (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylic acid.
Chemical Property Profile of Dysiherbaine
Property Insights of Dysiherbaine
The XLogP value of -2.2516 indicates that Dysiherbaine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.34 Ų indicates high polarity, suggesting Dysiherbaine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dysiherbaine has 5 hydrogen bond donor(s) and 7 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 Dysiherbaine?
The CAS number of Dysiherbaine is 185245-55-0.
What is the molecular formula of Dysiherbaine?
The molecular formula of Dysiherbaine is C12H20N2O7.
What is the molecular weight of Dysiherbaine?
The molecular weight of Dysiherbaine is 304.13 g/mol.
Where can I buy Dysiherbaine?
You can request a quote for Dysiherbaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dysiherbaine?
Yes, KEHONG BIO provides custom synthesis services for Dysiherbaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.