SR 44538A
TL;DR: SR 44538A (CAS 119585-16-9) is a chemical compound with molecular formula C33H36ClNO2 and molecular weight 513.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-benzylpiperidin-1-yl)-2-naphthalen-1-ylbutyl] benzoate;hydrochloride
Also Known As: SR 44538 A, SR 44538A, beta-1-Naphthalenyl-4-(phenylmethyl)-1-piperidinebutanol benzoate (ester) hydrochloride, 1-Piperidinebutanol, beta-1-naphthalenyl-4-(phenylmethyl)-, benzoate (ester), hydrochloride, [4-(4-benzylpiperidin-1-yl)-2-naphthalen-1-ylbutyl] benzoate hydrochloride
| Molecular Formula | C33H36ClNO2 |
|---|---|
| Molecular Weight | 513.24 g/mol |
| LogP | 7.547 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.24347 |
| Heavy Atoms | 37 |
| Complexity | 1247.8273 |
Chemical Identifiers
| CAS Number | 119585-16-9 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)CCC(COC(=O)C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54.Cl |
Product Overview
SR 44538A (CAS 119585-16-9), with molecular formula C33H36ClNO2 and molecular weight 513.24 g/mol. IUPAC: [4-(4-benzylpiperidin-1-yl)-2-naphthalen-1-ylbutyl] benzoate;hydrochloride.
Chemical Property Profile of SR 44538A
Property Insights of SR 44538A
The XLogP value of 7.547 indicates that SR 44538A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, SR 44538A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SR 44538A has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SR 44538A?
The CAS number of SR 44538A is 119585-16-9.
What is the molecular formula of SR 44538A?
The molecular formula of SR 44538A is C33H36ClNO2.
What is the molecular weight of SR 44538A?
The molecular weight of SR 44538A is 513.24 g/mol.
Where can I buy SR 44538A?
You can request a quote for SR 44538A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SR 44538A?
Yes, KEHONG BIO provides custom synthesis services for SR 44538A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.