Tetrahydro-2-furanylmethyl 4-chlorobenzoate
TL;DR: Tetrahydro-2-furanylmethyl 4-chlorobenzoate (CAS 5436-86-2) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 4-chlorobenzoate
Also Known As: oxolan-2-ylmethyl 4-chlorobenzoate, Tetrahydro-2-furanylmethyl 4-chlorobenzoate, (Oxolan-2-yl)methyl 4-chlorobenzoate, Tetrahydro-2-furanylmethyl 4-chlorobenzoate #, 2-(4-chloro-benzoyloxymethyl)-tetrahydro-furan
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 5436-86-2 |
|---|---|
| SMILES | C1CC(OC1)COC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | UUMZJIAEAMIRGA-UHFFFAOYSA-N |
Product Overview
Tetrahydro-2-furanylmethyl 4-chlorobenzoate (CAS 5436-86-2), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: oxolan-2-ylmethyl 4-chlorobenzoate.
Chemical Property Profile of Tetrahydro-2-furanylmethyl 4-chlorobenzoate
Property Insights of Tetrahydro-2-furanylmethyl 4-chlorobenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydro-2-furanylmethyl 4-chlorobenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Tetrahydro-2-furanylmethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydro-2-furanylmethyl 4-chlorobenzoate 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 Tetrahydro-2-furanylmethyl 4-chlorobenzoate?
The CAS number of Tetrahydro-2-furanylmethyl 4-chlorobenzoate is 5436-86-2.
What is the molecular formula of Tetrahydro-2-furanylmethyl 4-chlorobenzoate?
The molecular formula of Tetrahydro-2-furanylmethyl 4-chlorobenzoate is C12H13ClO3.
What is the molecular weight of Tetrahydro-2-furanylmethyl 4-chlorobenzoate?
The molecular weight of Tetrahydro-2-furanylmethyl 4-chlorobenzoate is 240.06 g/mol.
Where can I buy Tetrahydro-2-furanylmethyl 4-chlorobenzoate?
You can request a quote for Tetrahydro-2-furanylmethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-2-furanylmethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-2-furanylmethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.