RefChem:1091113
TL;DR: RefChem:1091113 (CAS 77733-18-7) is a chemical compound with molecular formula C15H20N2O and molecular weight 244.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: n-4,5-dihydro-1,3-oxazol-2-amine, NCI60_022089, 2-(3,4-Dimethyl-5,6,7,8-tetrahydro-1-naphthylamino)-2-oxazoline, N-(3,4-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine, N-(7,8-dimethyltetralin-5-yl)-4,5-dihydrooxazol-2-amine
| Molecular Formula | C15H20N2O |
|---|---|
| Molecular Weight | 244.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.15756 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 77733-18-7 |
|---|---|
| SMILES | CC1=CC(=C2CCCCC2=C1C)NC3=NCCO3 |
| InChIKey | GTUOHYYXUFZLSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1091113 (CAS 77733-18-7), with molecular formula C15H20N2O and molecular weight 244.16 g/mol. IUPAC: N-(3,4-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of RefChem:1091113
Property Insights of RefChem:1091113
The XLogP value of 3.3 indicates that RefChem:1091113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.6 Ų, RefChem:1091113 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091113 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 RefChem:1091113?
The CAS number of RefChem:1091113 is 77733-18-7.
What is the molecular formula of RefChem:1091113?
The molecular formula of RefChem:1091113 is C15H20N2O.
What is the molecular weight of RefChem:1091113?
The molecular weight of RefChem:1091113 is 244.16 g/mol.
Where can I buy RefChem:1091113?
You can request a quote for RefChem:1091113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.