n-Hexyl-O-carboxyphenylcarbonate
TL;DR: n-Hexyl-O-carboxyphenylcarbonate (CAS 17867-69-5) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexoxycarbonyloxybenzoic acid
Also Known As: n-Hexyl-O-carboxyphenylcarbonate, 2-hexoxycarbonyloxybenzoic acid, Benzoic acid, o-hexyloxycarbonyloxy-, 2-((Hexyloxy)carbonyloxy)benzoic acid, Salicylic acid, hexylcarbonate deriv.
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 17867-69-5 |
|---|---|
| SMILES | CCCCCCOC(=O)OC1=CC=CC=C1C(=O)O |
| InChIKey | XSIAKDCMDYUKNA-UHFFFAOYSA-N |
Product Overview
n-Hexyl-O-carboxyphenylcarbonate (CAS 17867-69-5), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: 2-hexoxycarbonyloxybenzoic acid.
Chemical Property Profile of n-Hexyl-O-carboxyphenylcarbonate
Property Insights of n-Hexyl-O-carboxyphenylcarbonate
The XLogP value of 3.9 indicates that n-Hexyl-O-carboxyphenylcarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Hexyl-O-carboxyphenylcarbonate. Following Lipinski's Rule of Five, n-Hexyl-O-carboxyphenylcarbonate has 1 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 n-Hexyl-O-carboxyphenylcarbonate?
The CAS number of n-Hexyl-O-carboxyphenylcarbonate is 17867-69-5.
What is the molecular formula of n-Hexyl-O-carboxyphenylcarbonate?
The molecular formula of n-Hexyl-O-carboxyphenylcarbonate is C14H18O5.
What is the molecular weight of n-Hexyl-O-carboxyphenylcarbonate?
The molecular weight of n-Hexyl-O-carboxyphenylcarbonate is 266.12 g/mol.
Where can I buy n-Hexyl-O-carboxyphenylcarbonate?
You can request a quote for n-Hexyl-O-carboxyphenylcarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Hexyl-O-carboxyphenylcarbonate?
Yes, KEHONG BIO provides custom synthesis services for n-Hexyl-O-carboxyphenylcarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.