(1,3-Benzoxazol-2-ylthio)formic acid hexyl ester
TL;DR: (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester (CAS 5312-06-1) is a chemical compound with molecular formula C14H17NO3S and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 1,3-benzoxazol-2-ylsulfanylformate
Also Known As: hexyl 1,3-benzoxazol-2-ylsulfanylformate, (1,3-benzoxazol-2-ylthio)formic acid hexyl ester, S-1,3-benzoxazol-2-yl O-hexyl thiocarbonate, S-1,3-Benzoxazol-2-yl O-hexyl carbonothioate, S-(1,3-Benzoxazol-2-yl) O-hexyl carbonothioate
| Molecular Formula | C14H17NO3S |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 4.6368 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.09293 |
| Heavy Atoms | 19 |
| Complexity | 505.22552 |
Chemical Identifiers
| CAS Number | 5312-06-1 |
|---|---|
| SMILES | CCCCCCOC(=O)SC1=NC2=CC=CC=C2O1 |
Product Overview
(1,3-Benzoxazol-2-ylthio)formic acid hexyl ester (CAS 5312-06-1), with molecular formula C14H17NO3S and molecular weight 279.09 g/mol. IUPAC: hexyl 1,3-benzoxazol-2-ylsulfanylformate.
Chemical Property Profile of (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester
Property Insights of (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester
The XLogP value of 4.6368 indicates that (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester has 0 hydrogen bond donor(s) and 5 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 (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester?
The CAS number of (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester is 5312-06-1.
What is the molecular formula of (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester?
The molecular formula of (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester is C14H17NO3S.
What is the molecular weight of (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester?
The molecular weight of (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester is 279.09 g/mol.
Where can I buy (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester?
You can request a quote for (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzoxazol-2-ylthio)formic acid hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.