Lupinate
TL;DR: Lupinate (CAS 67392-79-4) is a chemical compound with molecular formula C13H18N6O3 and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanoic acid
Also Known As: L-lupinic acid, Lupinic acid, Lupinate, 3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine, 3-[N(6)-(4-hydroxyisopentenyl)adeninyl]-L-alanine
| Molecular Formula | C13H18N6O3 |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | -0.4113 |
| Topological Polar Surface Area | 139.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.14404 |
| Heavy Atoms | 22 |
| Complexity | 696.1403 |
Chemical Identifiers
| CAS Number | 67392-79-4 |
|---|---|
| SMILES | C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)C[C@@H](C(=O)O)N)/CO |
Product Overview
Lupinate (CAS 67392-79-4), with molecular formula C13H18N6O3 and molecular weight 306.14 g/mol. IUPAC: (2S)-2-amino-3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanoic acid.
Chemical Property Profile of Lupinate
Property Insights of Lupinate
The XLogP value of -0.4113 indicates that Lupinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Lupinate. Following Lipinski's Rule of Five, Lupinate has 4 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 Lupinate?
The CAS number of Lupinate is 67392-79-4.
What is the molecular formula of Lupinate?
The molecular formula of Lupinate is C13H18N6O3.
What is the molecular weight of Lupinate?
The molecular weight of Lupinate is 306.14 g/mol.
Where can I buy Lupinate?
You can request a quote for Lupinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupinate?
Yes, KEHONG BIO provides custom synthesis services for Lupinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.