Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate
TL;DR: Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate (CAS 354548-52-0) is a chemical compound with molecular formula C16H15ClO4 and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-chloro-5-(5-formylfuran-2-yl)benzoate
Also Known As: butyl 2-chloro-5-(5-formyl-2-furyl)benzoate, butyl 2-chloro-5-(5-formylfuran-2-yl)benzoate, butyl 2-chloro-5-(5-formyl(2-furyl))benzoate
| Molecular Formula | C16H15ClO4 |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 4.3694 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.0659 |
| Heavy Atoms | 21 |
| Complexity | 645.47656 |
Chemical Identifiers
| CAS Number | 354548-52-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=O)Cl |
Product Overview
Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate (CAS 354548-52-0), with molecular formula C16H15ClO4 and molecular weight 306.07 g/mol. IUPAC: butyl 2-chloro-5-(5-formylfuran-2-yl)benzoate.
Chemical Property Profile of Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate
Property Insights of Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate
The XLogP value of 4.3694 indicates that Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate has 0 hydrogen bond donor(s) and 4 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 Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate?
The CAS number of Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate is 354548-52-0.
What is the molecular formula of Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate?
The molecular formula of Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate is C16H15ClO4.
What is the molecular weight of Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate?
The molecular weight of Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate is 306.07 g/mol.
Where can I buy Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate?
You can request a quote for Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-chloro-5-(5-formyl-2-furyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.