Orteronel
TL;DR: Orteronel (CAS 752243-39-3) is a chemical compound with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
Also Known As: Orteronel, orteronelum, (S)-Orteronel, Orteronel [INN], (+)-orteronel
| Molecular Formula | C18H17N3O2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 2.0355 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.13208 |
| Heavy Atoms | 23 |
| Complexity | 915.52563 |
Chemical Identifiers
| CAS Number | 752243-39-3 |
|---|---|
| SMILES | CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O |
Product Overview
Orteronel (CAS 752243-39-3), with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol. IUPAC: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide.
Chemical Property Profile of Orteronel
Property Insights of Orteronel
The XLogP value of 2.0355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orteronel. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Orteronel. Following Lipinski's Rule of Five, Orteronel has 2 hydrogen bond donor(s) and 3 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 Orteronel?
The CAS number of Orteronel is 752243-39-3.
What is the molecular formula of Orteronel?
The molecular formula of Orteronel is C18H17N3O2.
What is the molecular weight of Orteronel?
The molecular weight of Orteronel is 307.13 g/mol.
Where can I buy Orteronel?
You can request a quote for Orteronel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orteronel?
Yes, KEHONG BIO provides custom synthesis services for Orteronel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.