Benzoxazole, 2-heptyl-
TL;DR: Benzoxazole, 2-heptyl- (CAS 6797-17-7) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptyl-1,3-benzoxazole
Also Known As: 2-n-Heptyl-benzoxazole, 2-Heptylbenzoxazole, 2-heptyl-1,3-benzoxazole, BENZOXAZOLE, 2-HEPTYL-, 4-27-00-01130 (Beilstein Handbook Reference)
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 6797-17-7 |
|---|---|
| SMILES | CCCCCCCC1=NC2=CC=CC=C2O1 |
| InChIKey | PXUGHSBJSXMHAB-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-heptyl- (CAS 6797-17-7), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 2-heptyl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-heptyl-
Property Insights of Benzoxazole, 2-heptyl-
The XLogP value of 5.1 indicates that Benzoxazole, 2-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 2-heptyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-heptyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoxazole, 2-heptyl-?
The CAS number of Benzoxazole, 2-heptyl- is 6797-17-7.
What is the molecular formula of Benzoxazole, 2-heptyl-?
The molecular formula of Benzoxazole, 2-heptyl- is C14H19NO.
What is the molecular weight of Benzoxazole, 2-heptyl-?
The molecular weight of Benzoxazole, 2-heptyl- is 217.15 g/mol.
Where can I buy Benzoxazole, 2-heptyl-?
You can request a quote for Benzoxazole, 2-heptyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.