阿戈司他
TL;DR: 阿戈司他 (CAS 957230-65-8) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿戈司他
(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
Also Known As: Afegostat, Isofagomine, iso-Fagomine, D-Isofagomine, afegostatum
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 957230-65-8 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H](CN1)O)O)CO |
| InChIKey | QPYJXFZUIJOGNX-HSUXUTPPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿戈司他 (CAS 957230-65-8), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol.
Chemical Property Profile of 阿戈司他
Property Insights of 阿戈司他
The XLogP value of -1.5 indicates that 阿戈司他 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿戈司他. Following Lipinski's Rule of Five, 阿戈司他 has 4 hydrogen bond donor(s) and 4 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 阿戈司他?
The CAS number of 阿戈司他 is 957230-65-8.
What is the molecular formula of 阿戈司他?
The molecular formula of 阿戈司他 is C6H13NO3.
What is the molecular weight of 阿戈司他?
The molecular weight of 阿戈司他 is 147.09 g/mol.
Where can I buy 阿戈司他?
You can request a quote for 阿戈司他 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿戈司他?
Yes, KEHONG BIO provides custom synthesis services for 阿戈司他 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.