Carbonic acid, heptyl phenyl ester
TL;DR: Carbonic acid, heptyl phenyl ester (CAS 112406-25-4) 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.
heptyl phenyl carbonate
Also Known As: heptyl phenyl carbonate, Carbonic acid, heptyl phenyl ester, Kohlensaeure-n-heptyl-phenyl-ester, RefChem:333405
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 4.1724 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 308.50317 |
Chemical Identifiers
| CAS Number | 112406-25-4 |
|---|---|
| SMILES | CCCCCCCOC(=O)OC1=CC=CC=C1 |
Product Overview
Carbonic acid, heptyl phenyl ester (CAS 112406-25-4), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: heptyl phenyl carbonate.
Chemical Property Profile of Carbonic acid, heptyl phenyl ester
Property Insights of Carbonic acid, heptyl phenyl ester
The XLogP value of 4.1724 indicates that Carbonic acid, heptyl phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Carbonic acid, heptyl phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, heptyl phenyl ester 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 Carbonic acid, heptyl phenyl ester?
The CAS number of Carbonic acid, heptyl phenyl ester is 112406-25-4.
What is the molecular formula of Carbonic acid, heptyl phenyl ester?
The molecular formula of Carbonic acid, heptyl phenyl ester is C14H20O3.
What is the molecular weight of Carbonic acid, heptyl phenyl ester?
The molecular weight of Carbonic acid, heptyl phenyl ester is 236.14 g/mol.
Where can I buy Carbonic acid, heptyl phenyl ester?
You can request a quote for Carbonic acid, heptyl phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, heptyl phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, heptyl phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.