Atropine O-(hydrogen sulphate)
TL;DR: Atropine O-(hydrogen sulphate) (CAS 5226-98-2) is a chemical compound with molecular formula C17H23NO6S and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-sulfooxypropanoate
Also Known As: Atropine O-(hydrogen sulphate), ATROPINE O-(HYDROGEN SULFATE), (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-sulfooxypropanoate, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenyl-3-(sulfooxy)propanoate, 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol (.+.)-tropate (ester), hydrogen sulfate (ester)
| Molecular Formula | C17H23NO6S |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.1246 |
| Heavy Atoms | 25 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 5226-98-2 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)C3=CC=CC=C3 |
| InChIKey | GMLBHJMTVBLXLJ-UHFFFAOYSA-N |
Product Overview
Atropine O-(hydrogen sulphate) (CAS 5226-98-2), with molecular formula C17H23NO6S and molecular weight 369.12 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-sulfooxypropanoate.
Chemical Property Profile of Atropine O-(hydrogen sulphate)
Property Insights of Atropine O-(hydrogen sulphate)
The XLogP value of -0.8 indicates that Atropine O-(hydrogen sulphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Atropine O-(hydrogen sulphate). Following Lipinski's Rule of Five, Atropine O-(hydrogen sulphate) has 1 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 Atropine O-(hydrogen sulphate)?
The CAS number of Atropine O-(hydrogen sulphate) is 5226-98-2.
What is the molecular formula of Atropine O-(hydrogen sulphate)?
The molecular formula of Atropine O-(hydrogen sulphate) is C17H23NO6S.
What is the molecular weight of Atropine O-(hydrogen sulphate)?
The molecular weight of Atropine O-(hydrogen sulphate) is 369.12 g/mol.
Where can I buy Atropine O-(hydrogen sulphate)?
You can request a quote for Atropine O-(hydrogen sulphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropine O-(hydrogen sulphate)?
Yes, KEHONG BIO provides custom synthesis services for Atropine O-(hydrogen sulphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.