(6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate
TL;DR: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate (CAS 1003718-91-9) is a chemical compound with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate
Also Known As: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate, 4H-1,3-BENZODIOXIN-8-METHANOL,6-CHLORO-,8-BENZOATE
| Molecular Formula | C16H13ClO4 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.5635 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.05023 |
| Heavy Atoms | 21 |
| Complexity | 654.8266 |
Chemical Identifiers
| CAS Number | 1003718-91-9 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)Cl)COC(=O)C3=CC=CC=C3)OCO1 |
Product Overview
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate (CAS 1003718-91-9), with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol. IUPAC: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate.
Chemical Property Profile of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate
Property Insights of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate
The XLogP value of 3.5635 indicates that (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 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 (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate?
The CAS number of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate is 1003718-91-9.
What is the molecular formula of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate?
The molecular formula of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate is C16H13ClO4.
What is the molecular weight of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate?
The molecular weight of (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate is 304.05 g/mol.
Where can I buy (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate?
You can request a quote for (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-chloro-4H-1,3-benzodioxin-8-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.