Gomphrenin I
TL;DR: Gomphrenin I (CAS 17008-59-2) is a chemical compound with molecular formula C24H26N2O13 and molecular weight 550.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
Also Known As: Gomphrenin I, 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
| Molecular Formula | C24H26N2O13 |
|---|---|
| Molecular Weight | 550.14 g/mol |
| LogP | -3.6983 |
| Topological Polar Surface Area | 249.38 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.1435 |
| Heavy Atoms | 39 |
| Complexity | 1270.7189 |
Chemical Identifiers
| CAS Number | 17008-59-2 |
|---|---|
| SMILES | C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O |
Product Overview
Gomphrenin I (CAS 17008-59-2), with molecular formula C24H26N2O13 and molecular weight 550.14 g/mol. IUPAC: 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate.
Chemical Property Profile of Gomphrenin I
Property Insights of Gomphrenin I
The XLogP value of -3.6983 indicates that Gomphrenin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.38 Ų indicates high polarity, suggesting Gomphrenin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gomphrenin I has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gomphrenin I?
The CAS number of Gomphrenin I is 17008-59-2.
What is the molecular formula of Gomphrenin I?
The molecular formula of Gomphrenin I is C24H26N2O13.
What is the molecular weight of Gomphrenin I?
The molecular weight of Gomphrenin I is 550.14 g/mol.
Where can I buy Gomphrenin I?
You can request a quote for Gomphrenin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gomphrenin I?
Yes, KEHONG BIO provides custom synthesis services for Gomphrenin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.