降烟碱
TL;DR: 降烟碱 (CAS 5746-86-1) is a chemical compound with molecular formula C16H21N2O7+ and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
降烟碱
3,4,5-trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid
Also Known As: cotinineglucuronide, cotinine-glucuronide, 3-(pyrrolidin-2-yl)pyridine, 3,4,5-trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid
| Molecular Formula | C16H21N2O7+ |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1349 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 5746-86-1 |
|---|---|
| SMILES | CN1C(CCC1=O)C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)O)O)O)O |
| InChIKey | XWZCZWKUGIQPJD-UHFFFAOYSA-O |
Product Overview
降烟碱 (CAS 5746-86-1), with molecular formula C16H21N2O7+ and molecular weight 353.13 g/mol. IUPAC: 3,4,5-trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid.
Chemical Property Profile of 降烟碱
Property Insights of 降烟碱
The XLogP value of -1.6 indicates that 降烟碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 降烟碱. Following Lipinski's Rule of Five, 降烟碱 has 4 hydrogen bond donor(s) and 7 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 降烟碱?
The CAS number of 降烟碱 is 5746-86-1.
What is the molecular formula of 降烟碱?
The molecular formula of 降烟碱 is C16H21N2O7+.
What is the molecular weight of 降烟碱?
The molecular weight of 降烟碱 is 353.13 g/mol.
Where can I buy 降烟碱?
You can request a quote for 降烟碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 降烟碱?
Yes, KEHONG BIO provides custom synthesis services for 降烟碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.