6-Oxazolinylisoflavan
TL;DR: 6-Oxazolinylisoflavan (CAS 16950-80-4) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
Also Known As: 6-Oxazolinylisoflavan, 2-(4-(3,4-Dihydro-2H-1-benzopyran-3-yl)phenyl)-4,5-dihydrooxazole, 2-(4-chroman-3-ylphenyl)-4,5-dihydrooxazole, 3-[4-[(4,5-Dihydrooxazol)-2-yl]phenyl]chroman, 2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 16950-80-4 |
|---|---|
| SMILES | C1COC(=N1)C2=CC=C(C=C2)C3CC4=CC=CC=C4OC3 |
| InChIKey | AZCAFMKVYBPFFP-UHFFFAOYSA-N |
Product Overview
6-Oxazolinylisoflavan (CAS 16950-80-4), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole.
Chemical Property Profile of 6-Oxazolinylisoflavan
Property Insights of 6-Oxazolinylisoflavan
The XLogP value of 3.2 indicates that 6-Oxazolinylisoflavan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.8 Ų, 6-Oxazolinylisoflavan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxazolinylisoflavan has 0 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 6-Oxazolinylisoflavan?
The CAS number of 6-Oxazolinylisoflavan is 16950-80-4.
What is the molecular formula of 6-Oxazolinylisoflavan?
The molecular formula of 6-Oxazolinylisoflavan is C18H17NO2.
What is the molecular weight of 6-Oxazolinylisoflavan?
The molecular weight of 6-Oxazolinylisoflavan is 279.13 g/mol.
Where can I buy 6-Oxazolinylisoflavan?
You can request a quote for 6-Oxazolinylisoflavan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxazolinylisoflavan?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxazolinylisoflavan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.