Compound I(R)
TL;DR: Compound I(R) (CAS 98524-87-9) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[7-[4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
Also Known As: Compound I(R), 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole, Isoxazole, 5-(7-(4-((4R)-4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-, 3-METHYL-5-(7-{4-[(4R)-4-METHYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL]PHENOXY}HEPTYL)-1,2-OXAZOLE, (R)-3-Methyl-5-(7-(4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)isoxazole
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 4.72032 |
| Topological Polar Surface Area | 56.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 706.3012 |
Chemical Identifiers
| CAS Number | 98524-87-9 |
|---|---|
| SMILES | C[C@@H]1COC(=N1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C |
Product Overview
Compound I(R) (CAS 98524-87-9), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 3-methyl-5-[7-[4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole.
Chemical Property Profile of Compound I(R)
Property Insights of Compound I(R)
The XLogP value of 4.72032 indicates that Compound I(R) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.85 Ų, Compound I(R) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Compound I(R) has 0 hydrogen bond donor(s) and 5 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 Compound I(R)?
The CAS number of Compound I(R) is 98524-87-9.
What is the molecular formula of Compound I(R)?
The molecular formula of Compound I(R) is C21H28N2O3.
What is the molecular weight of Compound I(R)?
The molecular weight of Compound I(R) is 356.21 g/mol.
Where can I buy Compound I(R)?
You can request a quote for Compound I(R) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound I(R)?
Yes, KEHONG BIO provides custom synthesis services for Compound I(R) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.