p-Pentoxybenzoyl chloride
TL;DR: p-Pentoxybenzoyl chloride (CAS 36823-84-4) is a chemical compound with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentoxybenzoyl chloride
Also Known As: 4-(pentyloxy)benzoyl chloride, p-Pentoxybenzoyl chloride, Benzoyl chloride, 4-(pentyloxy)-, 4-n-Pentyloxybenzoyl chloride, 4-Pentyloxybenzoyl chloride
| Molecular Formula | C12H15ClO2 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.07605 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 36823-84-4 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)Cl |
| InChIKey | IBQDPNHVFRFCFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Pentoxybenzoyl chloride (CAS 36823-84-4), with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol. IUPAC: 4-pentoxybenzoyl chloride.
Chemical Property Profile of p-Pentoxybenzoyl chloride
Property Insights of p-Pentoxybenzoyl chloride
The XLogP value of 4.4 indicates that p-Pentoxybenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, p-Pentoxybenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Pentoxybenzoyl chloride has 0 hydrogen bond donor(s) and 2 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 p-Pentoxybenzoyl chloride?
The CAS number of p-Pentoxybenzoyl chloride is 36823-84-4.
What is the molecular formula of p-Pentoxybenzoyl chloride?
The molecular formula of p-Pentoxybenzoyl chloride is C12H15ClO2.
What is the molecular weight of p-Pentoxybenzoyl chloride?
The molecular weight of p-Pentoxybenzoyl chloride is 226.08 g/mol.
Where can I buy p-Pentoxybenzoyl chloride?
You can request a quote for p-Pentoxybenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Pentoxybenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for p-Pentoxybenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.