Rovatirelin
TL;DR: Rovatirelin (CAS 204386-76-5) is a chemical compound with molecular formula C16H22N4O4S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-5-methyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
Also Known As: Rovatirelin, rovatirelina, rovatireline, Rovatirelin [INN], rovatirelinum
| Molecular Formula | C16H22N4O4S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 0.6782 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.13617 |
| Heavy Atoms | 25 |
| Complexity | 650.5697 |
Chemical Identifiers
| CAS Number | 204386-76-5 |
|---|---|
| SMILES | C[C@@H]1CCCN1C(=O)[C@H](CC2=CSC=N2)NC(=O)[C@@H]3[C@@H](OC(=O)N3)C |
Product Overview
Rovatirelin (CAS 204386-76-5), with molecular formula C16H22N4O4S and molecular weight 366.14 g/mol. IUPAC: (4S,5S)-5-methyl-N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.
Chemical Property Profile of Rovatirelin
Property Insights of Rovatirelin
The XLogP value of 0.6782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rovatirelin. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Rovatirelin. Following Lipinski's Rule of Five, Rovatirelin has 2 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 Rovatirelin?
The CAS number of Rovatirelin is 204386-76-5.
What is the molecular formula of Rovatirelin?
The molecular formula of Rovatirelin is C16H22N4O4S.
What is the molecular weight of Rovatirelin?
The molecular weight of Rovatirelin is 366.14 g/mol.
Where can I buy Rovatirelin?
You can request a quote for Rovatirelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rovatirelin?
Yes, KEHONG BIO provides custom synthesis services for Rovatirelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.