SID:135653432
TL;DR: SID:135653432 (CAS 161582-11-2) is a chemical compound with molecular formula C23H27BrFNO2 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
SID:135653432
(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
Also Known As: Ro 48-8071, 1gsz, Ro-48-8071, Ro 48-8071 fumarate, Ro 48-8071hydrochloride
| Molecular Formula | C23H27BrFNO2 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 447.1209 |
| Heavy Atoms | 28 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 161582-11-2 |
|---|---|
| SMILES | CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C |
| InChIKey | CMYCCJYVZIMDFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SID:135653432 (CAS 161582-11-2), with molecular formula C23H27BrFNO2 and molecular weight 447.12 g/mol. IUPAC: (4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone.
Chemical Property Profile of SID:135653432
Property Insights of SID:135653432
The XLogP value of 6.1 indicates that SID:135653432 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, SID:135653432 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SID:135653432 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SID:135653432?
The CAS number of SID:135653432 is 161582-11-2.
What is the molecular formula of SID:135653432?
The molecular formula of SID:135653432 is C23H27BrFNO2.
What is the molecular weight of SID:135653432?
The molecular weight of SID:135653432 is 447.12 g/mol.
Where can I buy SID:135653432?
You can request a quote for SID:135653432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SID:135653432?
Yes, KEHONG BIO provides custom synthesis services for SID:135653432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.