Oxymethylatropine
TL;DR: Oxymethylatropine (CAS 2515-36-8) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate
Also Known As: Oxymethylatropine, A-Hydroxymethyl Atropine, ?-Hydroxymethylatropine, a-Hydroxymethyl Atropine, ?-Hydroxymethyl Atropine
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 2515-36-8 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)(CO)C3=CC=CC=C3 |
| InChIKey | ICTCLIOSQZBOFS-XYPWUTKMSA-N |
Product Overview
Oxymethylatropine (CAS 2515-36-8), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate.
Chemical Property Profile of Oxymethylatropine
Property Insights of Oxymethylatropine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxymethylatropine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxymethylatropine. Following Lipinski's Rule of Five, Oxymethylatropine has 2 hydrogen bond donor(s) and 5 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 Oxymethylatropine?
The CAS number of Oxymethylatropine is 2515-36-8.
What is the molecular formula of Oxymethylatropine?
The molecular formula of Oxymethylatropine is C18H25NO4.
What is the molecular weight of Oxymethylatropine?
The molecular weight of Oxymethylatropine is 319.18 g/mol.
Where can I buy Oxymethylatropine?
You can request a quote for Oxymethylatropine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxymethylatropine?
Yes, KEHONG BIO provides custom synthesis services for Oxymethylatropine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.