J1.252.582F
TL;DR: J1.252.582F (CAS 188680-62-8) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3S,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: J1.252.582F, [1R-(exo,exo)]-3-(4-Methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester, Methyl 3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate, (1R,2S,3S,5S)-Methyl 3-(p-tolyl)-8-azabicyclo[3.2.1]octane-2-carboxylate, methyl (1R,2S,3S,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 2.39212 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 468.1422 |
Chemical Identifiers
| CAS Number | 188680-62-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3 |
Product Overview
J1.252.582F (CAS 188680-62-8), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of J1.252.582F
Property Insights of J1.252.582F
The XLogP value of 2.39212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.252.582F. With a topological polar surface area (TPSA) of 38.33 Ų, J1.252.582F exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.252.582F 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 J1.252.582F?
The CAS number of J1.252.582F is 188680-62-8.
What is the molecular formula of J1.252.582F?
The molecular formula of J1.252.582F is C16H21NO2.
What is the molecular weight of J1.252.582F?
The molecular weight of J1.252.582F is 259.16 g/mol.
Where can I buy J1.252.582F?
You can request a quote for J1.252.582F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.252.582F?
Yes, KEHONG BIO provides custom synthesis services for J1.252.582F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.