Homatropine-methylbromide
TL;DR: Homatropine-methylbromide (CAS 99571-70-7) is a chemical compound with molecular formula C17H24NO3+ and molecular weight 290.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-2-hydroxy-2-phenylacetate
Also Known As: homatropine-methylbromide, (1R,3R,5S)-3-{[(2S)-2-hydroxy-2-phenylacetyl]oxy}-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium, [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-2-hydroxy-2-phenylacetate, 8-Azoniabicyclo[3.2.1]octane, 3-[(hydroxyphenylacetyl)oxy]-8,8-dimethyl-, [3(S)-endo]-, (1beta,5beta)-3alpha-[[(S)-Hydroxy(phenyl)acetyl]oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
| Molecular Formula | C17H24NO3+ |
|---|---|
| Molecular Weight | 290.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.17563 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 99571-70-7 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](C3=CC=CC=C3)O)C |
| InChIKey | WKWOJBUWWZTUQV-QXULXFAOSA-N |
Product Overview
Homatropine-methylbromide (CAS 99571-70-7), with molecular formula C17H24NO3+ and molecular weight 290.18 g/mol. IUPAC: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Homatropine-methylbromide
Property Insights of Homatropine-methylbromide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homatropine-methylbromide. With a topological polar surface area (TPSA) of 46.5 Ų, Homatropine-methylbromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homatropine-methylbromide has 1 hydrogen bond donor(s) and 3 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 Homatropine-methylbromide?
The CAS number of Homatropine-methylbromide is 99571-70-7.
What is the molecular formula of Homatropine-methylbromide?
The molecular formula of Homatropine-methylbromide is C17H24NO3+.
What is the molecular weight of Homatropine-methylbromide?
The molecular weight of Homatropine-methylbromide is 290.18 g/mol.
Where can I buy Homatropine-methylbromide?
You can request a quote for Homatropine-methylbromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homatropine-methylbromide?
Yes, KEHONG BIO provides custom synthesis services for Homatropine-methylbromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.