Ferrous histidinate
TL;DR: Ferrous histidinate (CAS 23661-48-5) is a chemical compound with molecular formula C12H16FeN6O4 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoate);iron(2+)
Also Known As: Ferrous histidinate, Fe(II)-Histidinate, ferroushistidinate, Iron, bis(L-histidinato-N,N3,O)-, SID:505376949
| Molecular Formula | C12H16FeN6O4 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | -3.9437 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.05823 |
| Heavy Atoms | 23 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 23661-48-5 |
|---|---|
| SMILES | C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.[Fe+2] |
| InChIKey | VCSCPMNEABGTIT-MDTVQASCSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ferrous histidinate (CAS 23661-48-5), with molecular formula C12H16FeN6O4 and molecular weight 364.06 g/mol. IUPAC: bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoate);iron(2+).
Chemical Property Profile of Ferrous histidinate
Property Insights of Ferrous histidinate
The XLogP value of -3.9437 indicates that Ferrous histidinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Ferrous histidinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ferrous histidinate has 4 hydrogen bond donor(s) and 8 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 Ferrous histidinate?
The CAS number of Ferrous histidinate is 23661-48-5.
What is the molecular formula of Ferrous histidinate?
The molecular formula of Ferrous histidinate is C12H16FeN6O4.
What is the molecular weight of Ferrous histidinate?
The molecular weight of Ferrous histidinate is 364.06 g/mol.
Where can I buy Ferrous histidinate?
You can request a quote for Ferrous histidinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferrous histidinate?
Yes, KEHONG BIO provides custom synthesis services for Ferrous histidinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.