Portulacaxanthin I
TL;DR: Portulacaxanthin I (CAS 11042-69-6) is a chemical compound with molecular formula C14H16N2O7 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-hydroxypyrrolidin-1-ium-2-carboxylate
Also Known As: Portulacaxanthin I, (2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-hydroxypyrrolidin-1-ium-2-carboxylate, (1Z,2S,4R)-1-{(2E)-2-[(2S)-2,6-Dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-4-hydroxypyrrolidin-1-ium-2-carboxylate, (2S,4R)-1-((2E)-2-((2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene)-4-hydroxypyrrolidin-1-ium-2-carboxylate, RefChem:175323
| Molecular Formula | C14H16N2O7 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | -2.7058 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.09576 |
| Heavy Atoms | 23 |
| Complexity | 635.03705 |
Chemical Identifiers
| CAS Number | 11042-69-6 |
|---|---|
| SMILES | C1[C@H](C[N+](=C/C=C/2\C[C@H](NC(=C2)C(=O)O)C(=O)O)[C@@H]1C(=O)[O-])O |
Product Overview
Portulacaxanthin I (CAS 11042-69-6), with molecular formula C14H16N2O7 and molecular weight 324.10 g/mol. IUPAC: (2S,4R)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-4-hydroxypyrrolidin-1-ium-2-carboxylate.
Chemical Property Profile of Portulacaxanthin I
Property Insights of Portulacaxanthin I
The XLogP value of -2.7058 indicates that Portulacaxanthin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting Portulacaxanthin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Portulacaxanthin I has 4 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 Portulacaxanthin I?
The CAS number of Portulacaxanthin I is 11042-69-6.
What is the molecular formula of Portulacaxanthin I?
The molecular formula of Portulacaxanthin I is C14H16N2O7.
What is the molecular weight of Portulacaxanthin I?
The molecular weight of Portulacaxanthin I is 324.10 g/mol.
Where can I buy Portulacaxanthin I?
You can request a quote for Portulacaxanthin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Portulacaxanthin I?
Yes, KEHONG BIO provides custom synthesis services for Portulacaxanthin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.