Chemical Compound (C34H35N2O16+)
TL;DR: Chemical Compound (C34H35N2O16+) (CAS 32074-65-0) is a chemical compound with molecular formula C34H35N2O16+ and molecular weight 727.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
| Molecular Formula | C34H35N2O16+ |
|---|---|
| Molecular Weight | 727.20 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 727.19867 |
| Heavy Atoms | 52 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 32074-65-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C4C(=C3)C[C@H]([N+]4=CC=C5C[C@H](NC(=C5)C(=O)O)C(=O)O)C(=O)O)O)O)O)O)O |
| InChIKey | BRMDRKOAVZEJCS-WPUGSIMNSA-O |
Product Overview
Chemical Compound (C34H35N2O16+) (CAS 32074-65-0), with molecular formula C34H35N2O16+ and molecular weight 727.20 g/mol. IUPAC: (2S)-4-[2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid.
Chemical Property Profile of Chemical Compound (C34H35N2O16+)
Property Insights of Chemical Compound (C34H35N2O16+)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chemical Compound (C34H35N2O16+). The TPSA of 282.0 Ų indicates high polarity, suggesting Chemical Compound (C34H35N2O16+) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C34H35N2O16+) has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chemical Compound (C34H35N2O16+)?
The CAS number of Chemical Compound (C34H35N2O16+) is 32074-65-0.
What is the molecular formula of Chemical Compound (C34H35N2O16+)?
The molecular formula of Chemical Compound (C34H35N2O16+) is C34H35N2O16+.
What is the molecular weight of Chemical Compound (C34H35N2O16+)?
The molecular weight of Chemical Compound (C34H35N2O16+) is 727.20 g/mol.
Where can I buy Chemical Compound (C34H35N2O16+)?
You can request a quote for Chemical Compound (C34H35N2O16+) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C34H35N2O16+)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C34H35N2O16+) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.