RefChem:222091
TL;DR: RefChem:222091 (CAS 141018-37-3) is a chemical compound with molecular formula C21H23NO2 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]-3-phenylpropan-1-one
Also Known As: (3aS)-2,2-Dimethyl-3-(3-phenylpropanoyl)-3,3a,8,8aalpha-tetrahydro-2H-indeno[1,2-d]oxazole, 1-[(3aS,8aR)-8,8a-Dihydro-2,2-dimethyl-2H-indeno[1,2-d]oxazol-3(3aH)-yl]-3-phenyl-1-propanone, (3aS)-2,2-Dimethyl-3-(3-phenylpropionyl)-3,3aalpha,8,8aalpha-tetrahydro-2H-indeno[1,2-d]oxazole, (3aS)-3-[3-(Phenyl)propionyl]-2,2-dimethyl-3,3aalpha,8,8aalpha-tetrahydro-2H-indeno[1,2-d]oxazole, (3aS,8aR)-2,2-dimethyl-3-(3-phenylpropanoyl)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazole
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 3.8801 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 753.4439 |
Chemical Identifiers
| CAS Number | 141018-37-3 |
|---|---|
| SMILES | CC1(N([C@@H]2[C@H](O1)CC3=CC=CC=C23)C(=O)CCC4=CC=CC=C4)C |
Product Overview
RefChem:222091 (CAS 141018-37-3), with molecular formula C21H23NO2 and molecular weight 321.17 g/mol. IUPAC: 1-[(3aR,8bS)-2,2-dimethyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]-3-phenylpropan-1-one.
Chemical Property Profile of RefChem:222091
Property Insights of RefChem:222091
The XLogP value of 3.8801 indicates that RefChem:222091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, RefChem:222091 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:222091 has 0 hydrogen bond donor(s) and 2 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 RefChem:222091?
The CAS number of RefChem:222091 is 141018-37-3.
What is the molecular formula of RefChem:222091?
The molecular formula of RefChem:222091 is C21H23NO2.
What is the molecular weight of RefChem:222091?
The molecular weight of RefChem:222091 is 321.17 g/mol.
Where can I buy RefChem:222091?
You can request a quote for RefChem:222091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:222091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:222091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.