Ritobegron ethyl
TL;DR: Ritobegron ethyl (CAS 255733-81-4) is a chemical compound with molecular formula C23H31NO5 and molecular weight 401.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetate
Also Known As: Ritobegron ethyl, (-)-Ritobegron ethyl, Ritobegron ethyl, (-)-, KUC-7483 free base, J2.594.076H
| Molecular Formula | C23H31NO5 |
|---|---|
| Molecular Weight | 401.22 g/mol |
| LogP | 3.20514 |
| Topological Polar Surface Area | 88.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.2202 |
| Heavy Atoms | 29 |
| Complexity | 803.66064 |
Chemical Identifiers
| CAS Number | 255733-81-4 |
|---|---|
| SMILES | CCOC(=O)COC1=CC(=C(C=C1C)CCN[C@@H](C)[C@@H](C2=CC=C(C=C2)O)O)C |
Product Overview
Ritobegron ethyl (CAS 255733-81-4), with molecular formula C23H31NO5 and molecular weight 401.22 g/mol. IUPAC: ethyl 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetate.
Chemical Property Profile of Ritobegron ethyl
Property Insights of Ritobegron ethyl
The XLogP value of 3.20514 indicates that Ritobegron ethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Ritobegron ethyl. Following Lipinski's Rule of Five, Ritobegron ethyl has 3 hydrogen bond donor(s) and 6 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 Ritobegron ethyl?
The CAS number of Ritobegron ethyl is 255733-81-4.
What is the molecular formula of Ritobegron ethyl?
The molecular formula of Ritobegron ethyl is C23H31NO5.
What is the molecular weight of Ritobegron ethyl?
The molecular weight of Ritobegron ethyl is 401.22 g/mol.
Where can I buy Ritobegron ethyl?
You can request a quote for Ritobegron ethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ritobegron ethyl?
Yes, KEHONG BIO provides custom synthesis services for Ritobegron ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.