Salicylic acid, 3,5-dichloro-, phenyl ester
TL;DR: Salicylic acid, 3,5-dichloro-, phenyl ester (CAS 13340-60-8) is a chemical compound with molecular formula C13H8Cl2O3 and molecular weight 281.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Salicylic acid, 3,5-dichloro-, phenyl ester
phenyl 3,5-dichloro-2-hydroxybenzoate
Also Known As: Dichlorsalol, phenyl 3,5-dichloro-2-hydroxybenzoate, Salicylic acid, 3,5-dichloro-, phenyl ester, 3,5-Dichlorosalicylic acid phenyl ester, Fenylester kyseliny 3,5-dichlorsalicylove
| Molecular Formula | C13H8Cl2O3 |
|---|---|
| Molecular Weight | 281.99 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.98505 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 13340-60-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C(=CC(=C2)Cl)Cl)O |
| InChIKey | PLIHAXTUDAJMFQ-UHFFFAOYSA-N |
Product Overview
Salicylic acid, 3,5-dichloro-, phenyl ester (CAS 13340-60-8), with molecular formula C13H8Cl2O3 and molecular weight 281.99 g/mol. IUPAC: phenyl 3,5-dichloro-2-hydroxybenzoate.
Chemical Property Profile of Salicylic acid, 3,5-dichloro-, phenyl ester
Property Insights of Salicylic acid, 3,5-dichloro-, phenyl ester
The XLogP value of 4.8 indicates that 3,5-二氯水杨酸苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Salicylic acid, 3,5-dichloro-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二氯水杨酸苯酯 has 1 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 3,5-二氯水杨酸苯酯?
The CAS number of 3,5-二氯水杨酸苯酯 is 13340-60-8.
What is the molecular formula of 3,5-二氯水杨酸苯酯?
The molecular formula of 3,5-二氯水杨酸苯酯 is C13H8Cl2O3.
What is the molecular weight of 3,5-二氯水杨酸苯酯?
The molecular weight of 3,5-二氯水杨酸苯酯 is 281.99 g/mol.
Where can I buy 3,5-二氯水杨酸苯酯?
You can request a quote for 3,5-二氯水杨酸苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二氯水杨酸苯酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二氯水杨酸苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.