Nagstatin
TL;DR: Nagstatin (CAS 126844-81-3) is a chemical compound with molecular formula C12H17N3O6 and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]acetic acid
Also Known As: Nagstatin, Nagstatine, Imidazo(1,2-a)pyridine-3-acetic acid, 8-(acetylamino)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)-, 2-[8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]acetic acid, {6,7-Dihydroxy-8-[(1-hydroxyethylidene)amino]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl}acetic acid
| Molecular Formula | C12H17N3O6 |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11172 |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 126844-81-3 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(N2C1=NC=C2CC(=O)O)CO)O)O |
| InChIKey | OBMORLCFLUTVPI-UHFFFAOYSA-N |
Product Overview
Nagstatin (CAS 126844-81-3), with molecular formula C12H17N3O6 and molecular weight 299.11 g/mol. IUPAC: 2-[8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]acetic acid.
Chemical Property Profile of Nagstatin
Property Insights of Nagstatin
The XLogP value of -2.9 indicates that Nagstatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting Nagstatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nagstatin has 5 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 Nagstatin?
The CAS number of Nagstatin is 126844-81-3.
What is the molecular formula of Nagstatin?
The molecular formula of Nagstatin is C12H17N3O6.
What is the molecular weight of Nagstatin?
The molecular weight of Nagstatin is 299.11 g/mol.
Where can I buy Nagstatin?
You can request a quote for Nagstatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nagstatin?
Yes, KEHONG BIO provides custom synthesis services for Nagstatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.