3,5,6-Trichloro-2-pyridinol glucuronide
TL;DR: 3,5,6-Trichloro-2-pyridinol glucuronide (CAS 58997-12-9) is a chemical compound with molecular formula C11H10Cl3NO7 and molecular weight 372.95 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-[(3,5,6-trichloro-2-pyridinyl)oxy]oxane-2-carboxylic acid
Also Known As: 3,5,6-Trichloro-2-pyridinol glucuronide, 3,5,6-Trichloro-2-pyridinol ?-D-Glucuronide, 3,5,6-Trichloro-2-pyridinol, A-D-Glucuronide, 3,5,6-Trichloro-2-pyridinol b-D-glucuronide
| Molecular Formula | C11H10Cl3NO7 |
|---|---|
| Molecular Weight | 372.95 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.95227 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 58997-12-9 |
|---|---|
| SMILES | C1=C(C(=NC(=C1Cl)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl |
| InChIKey | XIPKXSPRDJUGPJ-DEGUGSHBSA-N |
Product Overview
3,5,6-Trichloro-2-pyridinol glucuronide (CAS 58997-12-9), with molecular formula C11H10Cl3NO7 and molecular weight 372.95 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3,5,6-trichloro-2-pyridinyl)oxy]oxane-2-carboxylic acid.
Chemical Property Profile of 3,5,6-Trichloro-2-pyridinol glucuronide
Property Insights of 3,5,6-Trichloro-2-pyridinol glucuronide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,6-Trichloro-2-pyridinol glucuronide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,6-Trichloro-2-pyridinol glucuronide. Following Lipinski's Rule of Five, 3,5,6-Trichloro-2-pyridinol 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 3,5,6-Trichloro-2-pyridinol glucuronide?
The CAS number of 3,5,6-Trichloro-2-pyridinol glucuronide is 58997-12-9.
What is the molecular formula of 3,5,6-Trichloro-2-pyridinol glucuronide?
The molecular formula of 3,5,6-Trichloro-2-pyridinol glucuronide is C11H10Cl3NO7.
What is the molecular weight of 3,5,6-Trichloro-2-pyridinol glucuronide?
The molecular weight of 3,5,6-Trichloro-2-pyridinol glucuronide is 372.95 g/mol.
Where can I buy 3,5,6-Trichloro-2-pyridinol glucuronide?
You can request a quote for 3,5,6-Trichloro-2-pyridinol glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6-Trichloro-2-pyridinol glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6-Trichloro-2-pyridinol glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.