反式-3'-羟基可替宁-O-葡萄糖醛酸苷
TL;DR: 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 (CAS 132929-88-5) is a chemical compound with molecular formula C16H20N2O8 and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
反式-3'-羟基可替宁-O-葡萄糖醛酸苷
3,4,5-trihydroxy-6-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)oxyoxane-2-carboxylic acid
Also Known As: 3-Hydroxycotinine glucuronide, trans-3-hydroxycotinine glucuronide, Trans-3'-Hydroxycotinine O glucoronide, trans-3'-Hydroxycotinine-O-glucuronide, N-(trans-3-Hydroxycotinine)-b-D-glucuronide
| Molecular Formula | C16H20N2O8 |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.12198 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 132929-88-5 |
|---|---|
| SMILES | CN1C(CC(C1=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C3=CN=CC=C3 |
| InChIKey | WALNNKZUGHYSCT-UHFFFAOYSA-N |
Product Overview
反式-3'-羟基可替宁-O-葡萄糖醛酸苷 (CAS 132929-88-5), with molecular formula C16H20N2O8 and molecular weight 368.12 g/mol. IUPAC: 3,4,5-trihydroxy-6-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of 反式-3'-羟基可替宁-O-葡萄糖醛酸苷
Property Insights of 反式-3'-羟基可替宁-O-葡萄糖醛酸苷
The XLogP value of -1.7 indicates that 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 has 4 hydrogen bond donor(s) and 9 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 反式-3'-羟基可替宁-O-葡萄糖醛酸苷?
The CAS number of 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 is 132929-88-5.
What is the molecular formula of 反式-3'-羟基可替宁-O-葡萄糖醛酸苷?
The molecular formula of 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 is C16H20N2O8.
What is the molecular weight of 反式-3'-羟基可替宁-O-葡萄糖醛酸苷?
The molecular weight of 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 is 368.12 g/mol.
Where can I buy 反式-3'-羟基可替宁-O-葡萄糖醛酸苷?
You can request a quote for 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 反式-3'-羟基可替宁-O-葡萄糖醛酸苷?
Yes, KEHONG BIO provides custom synthesis services for 反式-3'-羟基可替宁-O-葡萄糖醛酸苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.