ChemDiv3_000649
TL;DR: ChemDiv3_000649 (CAS 48198-86-3) is a chemical compound with molecular formula C19H17N2O2+ and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: ChemDiv3_000649, 2-[3-1-propenyl]-3-methylbenzoxazole-3-ium, 3-methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole, 3-methyl-2-[3-(3-methyl-1,3-benzoxazol-2(3h)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium, GNF-Pf-3296
| Molecular Formula | C19H17N2O2+ |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.129 |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 48198-86-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)C |
| InChIKey | XLKQLIAYDLMVLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv3_000649 (CAS 48198-86-3), with molecular formula C19H17N2O2+ and molecular weight 305.13 g/mol. IUPAC: 3-methyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
Chemical Property Profile of ChemDiv3_000649
Property Insights of ChemDiv3_000649
The XLogP value of 4.5 indicates that ChemDiv3_000649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, ChemDiv3_000649 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_000649 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 ChemDiv3_000649?
The CAS number of ChemDiv3_000649 is 48198-86-3.
What is the molecular formula of ChemDiv3_000649?
The molecular formula of ChemDiv3_000649 is C19H17N2O2+.
What is the molecular weight of ChemDiv3_000649?
The molecular weight of ChemDiv3_000649 is 305.13 g/mol.
Where can I buy ChemDiv3_000649?
You can request a quote for ChemDiv3_000649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000649?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.