碳酸己基苄酯
TL;DR: 碳酸己基苄酯 (CAS 67987-31-9) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸己基苄酯
benzyl hexyl carbonate
Also Known As: Hexyl benzyl carbonate, benzyl hexyl carbonate, hexyl phenylmethyl carbonate, CARBONIC ACID, HEXYL BENZYL ESTER, Carbonic acid benzylhexyl ester
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 67987-31-9 |
|---|---|
| SMILES | CCCCCCOC(=O)OCC1=CC=CC=C1 |
| InChIKey | VBMJBENBENVERV-UHFFFAOYSA-N |
Product Overview
碳酸己基苄酯 (CAS 67987-31-9), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: benzyl hexyl carbonate.
Chemical Property Profile of 碳酸己基苄酯
Property Insights of 碳酸己基苄酯
The XLogP value of 4.3 indicates that 碳酸己基苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 碳酸己基苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳酸己基苄酯 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 碳酸己基苄酯?
The CAS number of 碳酸己基苄酯 is 67987-31-9.
What is the molecular formula of 碳酸己基苄酯?
The molecular formula of 碳酸己基苄酯 is C14H20O3.
What is the molecular weight of 碳酸己基苄酯?
The molecular weight of 碳酸己基苄酯 is 236.14 g/mol.
Where can I buy 碳酸己基苄酯?
You can request a quote for 碳酸己基苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸己基苄酯?
Yes, KEHONG BIO provides custom synthesis services for 碳酸己基苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.