BAY-a 6781
TL;DR: BAY-a 6781 (CAS 27922-33-4) is a chemical compound with molecular formula C11H20N2O and molecular weight 196.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylcyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: Bay a 6781, Bay-a 6781, BAY-A-6781, n-(2,6-dimethylcyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine, 2-oxazolamine, N-(2,6-dimethylcyclohexyl)-4,5-dihydro-, (1 alpha,2 alpha,6 alpha)-
| Molecular Formula | C11H20N2O |
|---|---|
| Molecular Weight | 196.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.15756 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 27922-33-4 |
|---|---|
| SMILES | CC1CCCC(C1NC2=NCCO2)C |
| InChIKey | FLNXCGJLBURWHL-UHFFFAOYSA-N |
Product Overview
BAY-a 6781 (CAS 27922-33-4), with molecular formula C11H20N2O and molecular weight 196.16 g/mol. IUPAC: N-(2,6-dimethylcyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of BAY-a 6781
Property Insights of BAY-a 6781
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAY-a 6781. With a topological polar surface area (TPSA) of 33.6 Ų, BAY-a 6781 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAY-a 6781 has 1 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 BAY-a 6781?
The CAS number of BAY-a 6781 is 27922-33-4.
What is the molecular formula of BAY-a 6781?
The molecular formula of BAY-a 6781 is C11H20N2O.
What is the molecular weight of BAY-a 6781?
The molecular weight of BAY-a 6781 is 196.16 g/mol.
Where can I buy BAY-a 6781?
You can request a quote for BAY-a 6781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAY-a 6781?
Yes, KEHONG BIO provides custom synthesis services for BAY-a 6781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.