3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯
TL;DR: 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 (CAS 16048-45-6) is a chemical compound with molecular formula C16H20FNO2 and molecular weight 277.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate
Also Known As: Acetic acid, (m-fluorophenyl)-, tropan-3-yl ester hydrochloride, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl(3-fluorophenyl)acetate, Benzeneacetic acid, 3-fluoro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl (3-fluorophenyl)acetate
| Molecular Formula | C16H20FNO2 |
|---|---|
| Molecular Weight | 277.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.1478 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 16048-45-6 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3=CC(=CC=C3)F |
| InChIKey | SKFBCNNCGWHFDQ-UHFFFAOYSA-N |
Product Overview
3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 (CAS 16048-45-6), with molecular formula C16H20FNO2 and molecular weight 277.15 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(3-fluorophenyl)acetate.
Chemical Property Profile of 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯
Property Insights of 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯
The XLogP value of 3.0 indicates that 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 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 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯?
The CAS number of 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 is 16048-45-6.
What is the molecular formula of 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯?
The molecular formula of 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 is C16H20FNO2.
What is the molecular weight of 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯?
The molecular weight of 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 is 277.15 g/mol.
Where can I buy 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯?
You can request a quote for 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氟苯乙酸 8-甲基-8-氮杂双环(3.2.1)辛-3-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.