2-Iodobenzoyl glucuronide
TL;DR: 2-Iodobenzoyl glucuronide (CAS 23598-61-0) is a chemical compound with molecular formula C13H13IO8 and molecular weight 423.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-iodobenzoyl)oxyoxane-2-carboxylic acid
Also Known As: 2-Iodobenzoyl glucuronide, ortho-Iodobenzoylglucuronic acid, ortho-Iodobenzoyl glucuronide, 1-O-(2-Iodobenzoyl)hexopyranuronic acid, 1-o-(2-iodobenzoyl)-
| Molecular Formula | C13H13IO8 |
|---|---|
| Molecular Weight | 423.97 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.9655 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 23598-61-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)I |
| InChIKey | JIYIBTDVKFKHFY-UNLLLRGISA-N |
Product Overview
2-Iodobenzoyl glucuronide (CAS 23598-61-0), with molecular formula C13H13IO8 and molecular weight 423.97 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-iodobenzoyl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of 2-Iodobenzoyl glucuronide
Property Insights of 2-Iodobenzoyl glucuronide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodobenzoyl glucuronide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Iodobenzoyl glucuronide. Following Lipinski's Rule of Five, 2-Iodobenzoyl glucuronide 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 2-Iodobenzoyl glucuronide?
The CAS number of 2-Iodobenzoyl glucuronide is 23598-61-0.
What is the molecular formula of 2-Iodobenzoyl glucuronide?
The molecular formula of 2-Iodobenzoyl glucuronide is C13H13IO8.
What is the molecular weight of 2-Iodobenzoyl glucuronide?
The molecular weight of 2-Iodobenzoyl glucuronide is 423.97 g/mol.
Where can I buy 2-Iodobenzoyl glucuronide?
You can request a quote for 2-Iodobenzoyl glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodobenzoyl glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodobenzoyl glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.