Allyl 4-chloro-2-(allyloxy)benzoate
TL;DR: Allyl 4-chloro-2-(allyloxy)benzoate (CAS 93856-97-4) is a chemical compound with molecular formula C13H13ClO3 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-chloro-2-prop-2-enoxybenzoate
Also Known As: Allyl 4-chloro-2-(allyloxy)benzoate, allyl4-chloro-2- benzoate, EINECS 299-132-1, prop-2-enyl 4-chloro-2-prop-2-enoxybenzoate, 4-Chloro-2-(allyloxy)benzoic acid allyl ester
| Molecular Formula | C13H13ClO3 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 3.2476 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.05533 |
| Heavy Atoms | 17 |
| Complexity | 426.6728 |
Chemical Identifiers
| CAS Number | 93856-97-4 |
|---|---|
| SMILES | C=CCOC1=C(C=CC(=C1)Cl)C(=O)OCC=C |
Product Overview
Allyl 4-chloro-2-(allyloxy)benzoate (CAS 93856-97-4), with molecular formula C13H13ClO3 and molecular weight 252.06 g/mol. IUPAC: prop-2-enyl 4-chloro-2-prop-2-enoxybenzoate.
Chemical Property Profile of Allyl 4-chloro-2-(allyloxy)benzoate
Property Insights of Allyl 4-chloro-2-(allyloxy)benzoate
The XLogP value of 3.2476 indicates that Allyl 4-chloro-2-(allyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Allyl 4-chloro-2-(allyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 4-chloro-2-(allyloxy)benzoate 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 Allyl 4-chloro-2-(allyloxy)benzoate?
The CAS number of Allyl 4-chloro-2-(allyloxy)benzoate is 93856-97-4.
What is the molecular formula of Allyl 4-chloro-2-(allyloxy)benzoate?
The molecular formula of Allyl 4-chloro-2-(allyloxy)benzoate is C13H13ClO3.
What is the molecular weight of Allyl 4-chloro-2-(allyloxy)benzoate?
The molecular weight of Allyl 4-chloro-2-(allyloxy)benzoate is 252.06 g/mol.
Where can I buy Allyl 4-chloro-2-(allyloxy)benzoate?
You can request a quote for Allyl 4-chloro-2-(allyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 4-chloro-2-(allyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 4-chloro-2-(allyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.