4'-甲氧基阿托酸3-托品酯
TL;DR: 4'-甲氧基阿托酸3-托品酯 (CAS 64048-77-7) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-甲氧基阿托酸3-托品酯
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methoxyphenyl)prop-2-enoate
Also Known As: 3-Tropanyl 4'-methoxyatropate, 4'-Methoxyatropic acid, 3-tropanyl ester, ATROPIC ACID, 4'-METHOXY-, 3-TROPANYL ESTER, 5-21-01-00240 (Beilstein Handbook Reference), (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methoxyphenyl)prop-2-enoate
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 64048-77-7 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=C(C=C3)OC |
| InChIKey | RZYSYUCNZPOXMK-UHFFFAOYSA-N |
Product Overview
4'-甲氧基阿托酸3-托品酯 (CAS 64048-77-7), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of 4'-甲氧基阿托酸3-托品酯
Property Insights of 4'-甲氧基阿托酸3-托品酯
The XLogP value of 3.5 indicates that 4'-甲氧基阿托酸3-托品酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 4'-甲氧基阿托酸3-托品酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-甲氧基阿托酸3-托品酯 has 0 hydrogen bond donor(s) and 4 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 4'-甲氧基阿托酸3-托品酯?
The CAS number of 4'-甲氧基阿托酸3-托品酯 is 64048-77-7.
What is the molecular formula of 4'-甲氧基阿托酸3-托品酯?
The molecular formula of 4'-甲氧基阿托酸3-托品酯 is C18H23NO3.
What is the molecular weight of 4'-甲氧基阿托酸3-托品酯?
The molecular weight of 4'-甲氧基阿托酸3-托品酯 is 301.17 g/mol.
Where can I buy 4'-甲氧基阿托酸3-托品酯?
You can request a quote for 4'-甲氧基阿托酸3-托品酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-甲氧基阿托酸3-托品酯?
Yes, KEHONG BIO provides custom synthesis services for 4'-甲氧基阿托酸3-托品酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.