Nicotianamine
TL;DR: Nicotianamine (CAS 54836-97-4) is a chemical compound with molecular formula C12H21N3O6 and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(3S)-3-[[(3S)-3-amino-3-carboxypropyl]amino]-3-carboxypropyl]azetidine-2-carboxylic acid
Also Known As: Nicotianamine, (S,S,S)-nicotianamine, (2S)-1-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid, 1-Azetidinebutanoic acid, alpha-((3-amino-3-carboxypropyl)amino)-2-carboxy-, (2S-(1(alphaR*(R*)),2R*))-, N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
| Molecular Formula | C12H21N3O6 |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | -1.6198 |
| Topological Polar Surface Area | 153.19 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 303.14304 |
| Heavy Atoms | 21 |
| Complexity | 402.454 |
Chemical Identifiers
| CAS Number | 54836-97-4 |
|---|---|
| SMILES | C1CN([C@@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N |
Product Overview
Nicotianamine (CAS 54836-97-4), with molecular formula C12H21N3O6 and molecular weight 303.14 g/mol. IUPAC: (2S)-1-[(3S)-3-[[(3S)-3-amino-3-carboxypropyl]amino]-3-carboxypropyl]azetidine-2-carboxylic acid.
Chemical Property Profile of Nicotianamine
Property Insights of Nicotianamine
The XLogP value of -1.6198 indicates that Nicotianamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.19 Ų indicates high polarity, suggesting Nicotianamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicotianamine has 5 hydrogen bond donor(s) and 6 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 Nicotianamine?
The CAS number of Nicotianamine is 54836-97-4.
What is the molecular formula of Nicotianamine?
The molecular formula of Nicotianamine is C12H21N3O6.
What is the molecular weight of Nicotianamine?
The molecular weight of Nicotianamine is 303.14 g/mol.
Where can I buy Nicotianamine?
You can request a quote for Nicotianamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotianamine?
Yes, KEHONG BIO provides custom synthesis services for Nicotianamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.