1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-
TL;DR: 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- (CAS 87395-54-8) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 3,4,5-trimethoxybenzoate
Also Known As: (+)-2-alpha-Tropanyl 3,4,5-trimethoxybenzoate, 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-, Benzoic acid, 3,4,5-trimethoxy-, 1-alpha-H,5-alpha-H-tropan-2-alpha-yl ester, (+)-, 8-Methyl-8-azabicyclo[3.2.1]octan-2-yl 3,4,5-trimethoxybenzoate, [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 3,4,5-trimethoxybenzoate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.4944 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 592.4218 |
Chemical Identifiers
| CAS Number | 87395-54-8 |
|---|---|
| SMILES | CN1[C@@H]2CCC1CCC2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- (CAS 87395-54-8), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: [(1R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-
Property Insights of 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-
The XLogP value of 2.4944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-. With a topological polar surface area (TPSA) of 57.23 Ų, 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- has 0 hydrogen bond donor(s) and 6 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 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-?
The CAS number of 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- is 87395-54-8.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-?
The molecular formula of 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- is C18H25NO5.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-?
The molecular weight of 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- is 335.17 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-?
You can request a quote for 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.