Crobenetine
TL;DR: Crobenetine (CAS 221019-25-6) is a chemical compound with molecular formula C25H33NO2 and molecular weight 379.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R)-1,13,13-trimethyl-10-[(2S)-2-phenylmethoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
Also Known As: crobenetine, crobenetina, crobenetinum, Crobenetine [INN], Crobenetine Free Base
| Molecular Formula | C25H33NO2 |
|---|---|
| Molecular Weight | 379.25 g/mol |
| LogP | 4.9118 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.25113 |
| Heavy Atoms | 28 |
| Complexity | 831.6964 |
Chemical Identifiers
| CAS Number | 221019-25-6 |
|---|---|
| SMILES | C[C@@H](CN1CC[C@]2(C3=C(C[C@@H]1C2(C)C)C(=CC=C3)O)C)OCC4=CC=CC=C4 |
Product Overview
Crobenetine (CAS 221019-25-6), with molecular formula C25H33NO2 and molecular weight 379.25 g/mol. IUPAC: (1S,9R)-1,13,13-trimethyl-10-[(2S)-2-phenylmethoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol.
Chemical Property Profile of Crobenetine
Property Insights of Crobenetine
The XLogP value of 4.9118 indicates that Crobenetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Crobenetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crobenetine has 1 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 Crobenetine?
The CAS number of Crobenetine is 221019-25-6.
What is the molecular formula of Crobenetine?
The molecular formula of Crobenetine is C25H33NO2.
What is the molecular weight of Crobenetine?
The molecular weight of Crobenetine is 379.25 g/mol.
Where can I buy Crobenetine?
You can request a quote for Crobenetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crobenetine?
Yes, KEHONG BIO provides custom synthesis services for Crobenetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.