SCOPOLAMINEHYDROBROMIDETRIHYDRATE
TL;DR: SCOPOLAMINEHYDROBROMIDETRIHYDRATE (CAS 59433-13-5) is a chemical compound with molecular formula C31H34O8 and molecular weight 534.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
Also Known As: SCOPOLAMINEHYDROBROMIDETRIHYDRATE, 1,6-Di-o-acetyl-2,3,4-tri-o-benzyl-a-D-mannopyranose, 1,6-DI-O-ACETYL-2,3,4-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSE, [6-(acetyloxy)-3,4,5-tris(benzyloxy)oxan-2-yl]methyl acetate, 1,6-DI-O-ACETYL-2,3,4-TRI-O-BENZYL-D-GLUCOPYRANOSE
| Molecular Formula | C31H34O8 |
|---|---|
| Molecular Weight | 534.23 g/mol |
| LogP | 4.5937 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 534.22534 |
| Heavy Atoms | 39 |
| Complexity | 1154.981 |
Chemical Identifiers
| CAS Number | 59433-13-5 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4 |
Product Overview
SCOPOLAMINEHYDROBROMIDETRIHYDRATE (CAS 59433-13-5), with molecular formula C31H34O8 and molecular weight 534.23 g/mol. IUPAC: [6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate.
Chemical Property Profile of SCOPOLAMINEHYDROBROMIDETRIHYDRATE
Property Insights of SCOPOLAMINEHYDROBROMIDETRIHYDRATE
The XLogP value of 4.5937 indicates that SCOPOLAMINEHYDROBROMIDETRIHYDRATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for SCOPOLAMINEHYDROBROMIDETRIHYDRATE. Following Lipinski's Rule of Five, SCOPOLAMINEHYDROBROMIDETRIHYDRATE has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SCOPOLAMINEHYDROBROMIDETRIHYDRATE?
The CAS number of SCOPOLAMINEHYDROBROMIDETRIHYDRATE is 59433-13-5.
What is the molecular formula of SCOPOLAMINEHYDROBROMIDETRIHYDRATE?
The molecular formula of SCOPOLAMINEHYDROBROMIDETRIHYDRATE is C31H34O8.
What is the molecular weight of SCOPOLAMINEHYDROBROMIDETRIHYDRATE?
The molecular weight of SCOPOLAMINEHYDROBROMIDETRIHYDRATE is 534.23 g/mol.
Where can I buy SCOPOLAMINEHYDROBROMIDETRIHYDRATE?
You can request a quote for SCOPOLAMINEHYDROBROMIDETRIHYDRATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SCOPOLAMINEHYDROBROMIDETRIHYDRATE?
Yes, KEHONG BIO provides custom synthesis services for SCOPOLAMINEHYDROBROMIDETRIHYDRATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.