Phloretic acid, 3-alpha-tropanyl ester, acetate
TL;DR: Phloretic acid, 3-alpha-tropanyl ester, acetate (CAS 23035-93-0) is a chemical compound with molecular formula C19H25NO4 and molecular weight 331.18 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-(4-acetyloxyphenyl)propanoate
Also Known As: Phloretic acid, 3-alpha-tropanyl ester, acetate, p-Hydroxyhydrocinnamic acid, 3-alpha-tropanyl ester, acetate, Hydrocinnamic acid, p-hydroxy-, 3-alpha-tropanyl ester, acetate, p-Acetoxybenzenepropionic acid (1R,5S)-tropan-3alpha-yl ester, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(4-acetyloxyphenyl)propanoate
| Molecular Formula | C19H25NO4 |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 2.7129 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.17834 |
| Heavy Atoms | 24 |
| Complexity | 583.8893 |
Chemical Identifiers
| CAS Number | 23035-93-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)CCC(=O)OC2C[C@H]3CC[C@@H](C2)N3C |
Product Overview
Phloretic acid, 3-alpha-tropanyl ester, acetate (CAS 23035-93-0), with molecular formula C19H25NO4 and molecular weight 331.18 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(4-acetyloxyphenyl)propanoate.
Chemical Property Profile of Phloretic acid, 3-alpha-tropanyl ester, acetate
Property Insights of Phloretic acid, 3-alpha-tropanyl ester, acetate
The XLogP value of 2.7129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phloretic acid, 3-alpha-tropanyl ester, acetate. With a topological polar surface area (TPSA) of 55.84 Ų, Phloretic acid, 3-alpha-tropanyl ester, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phloretic acid, 3-alpha-tropanyl ester, acetate has 0 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 Phloretic acid, 3-alpha-tropanyl ester, acetate?
The CAS number of Phloretic acid, 3-alpha-tropanyl ester, acetate is 23035-93-0.
What is the molecular formula of Phloretic acid, 3-alpha-tropanyl ester, acetate?
The molecular formula of Phloretic acid, 3-alpha-tropanyl ester, acetate is C19H25NO4.
What is the molecular weight of Phloretic acid, 3-alpha-tropanyl ester, acetate?
The molecular weight of Phloretic acid, 3-alpha-tropanyl ester, acetate is 331.18 g/mol.
Where can I buy Phloretic acid, 3-alpha-tropanyl ester, acetate?
You can request a quote for Phloretic acid, 3-alpha-tropanyl ester, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phloretic acid, 3-alpha-tropanyl ester, acetate?
Yes, KEHONG BIO provides custom synthesis services for Phloretic acid, 3-alpha-tropanyl ester, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.