Ro 41-5253
TL;DR: Ro 41-5253 (CAS 144092-31-9) is a chemical compound with molecular formula C28H36O5S and molecular weight 484.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid
Also Known As: Ro 41-5253
| Molecular Formula | C28H36O5S |
|---|---|
| Molecular Weight | 484.23 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.22833 |
| Heavy Atoms | 34 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 144092-31-9 |
|---|---|
| SMILES | CCCCCCCOC1=CC2=C(C=C1C(=CC3=CC=C(C=C3)C(=O)O)C)C(CCS2(=O)=O)(C)C |
| InChIKey | JEIWQRITHXYGIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 41-5253 (CAS 144092-31-9), with molecular formula C28H36O5S and molecular weight 484.23 g/mol. IUPAC: 4-[2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid.
Chemical Property Profile of Ro 41-5253
Property Insights of Ro 41-5253
The XLogP value of 7.7 indicates that Ro 41-5253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 41-5253. Following Lipinski's Rule of Five, Ro 41-5253 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 41-5253?
The CAS number of Ro 41-5253 is 144092-31-9.
What is the molecular formula of Ro 41-5253?
The molecular formula of Ro 41-5253 is C28H36O5S.
What is the molecular weight of Ro 41-5253?
The molecular weight of Ro 41-5253 is 484.23 g/mol.
Where can I buy Ro 41-5253?
You can request a quote for Ro 41-5253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 41-5253?
Yes, KEHONG BIO provides custom synthesis services for Ro 41-5253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.