Brl 36610
TL;DR: Brl 36610 (CAS 12558-57-5) is a chemical compound with molecular formula C19H22FNO3 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-2-methoxyphenol
Also Known As: Paroxetine-M, (Paroxetine metabolite), Brl 36610, Paroxetine metabolite M-II, Paroxetine 4-Hydroxy Metabolite
| Molecular Formula | C19H22FNO3 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1584 |
| Heavy Atoms | 24 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 12558-57-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F)O |
| InChIKey | DTXXMQRFTUCBHG-YOEHRIQHSA-N |
Product Overview
Brl 36610 (CAS 12558-57-5), with molecular formula C19H22FNO3 and molecular weight 331.16 g/mol. IUPAC: 4-[[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-2-methoxyphenol.
Chemical Property Profile of Brl 36610
Property Insights of Brl 36610
The XLogP value of 3.3 indicates that Brl 36610 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, Brl 36610 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brl 36610 has 2 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 Brl 36610?
The CAS number of Brl 36610 is 12558-57-5.
What is the molecular formula of Brl 36610?
The molecular formula of Brl 36610 is C19H22FNO3.
What is the molecular weight of Brl 36610?
The molecular weight of Brl 36610 is 331.16 g/mol.
Where can I buy Brl 36610?
You can request a quote for Brl 36610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brl 36610?
Yes, KEHONG BIO provides custom synthesis services for Brl 36610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.