Differanisole A
TL;DR: Differanisole A (CAS 94474-29-0) is a chemical compound with molecular formula C11H12Cl2O4 and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-hydroxy-4-methoxy-6-propylbenzoic acid
Also Known As: Differanisole A, differanisol a, 3,5-dichloro-2-hydroxy-4-methoxy-6-propylbenzoic acid, 3,5-Dichloro-2-hydroxy-4-methoxy-6-n-propylbenzoic acid, 3,5-DICHLORO-2-HYDROXY-4-METHOXY-6-PROPYL-BENZOIC ACID
| Molecular Formula | C11H12Cl2O4 |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.01126 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 94474-29-0 |
|---|---|
| SMILES | CCCC1=C(C(=C(C(=C1Cl)OC)Cl)O)C(=O)O |
| InChIKey | NKSHOWDKAJTSJO-UHFFFAOYSA-N |
Product Overview
Differanisole A (CAS 94474-29-0), with molecular formula C11H12Cl2O4 and molecular weight 278.01 g/mol. IUPAC: 3,5-dichloro-2-hydroxy-4-methoxy-6-propylbenzoic acid.
Chemical Property Profile of Differanisole A
Property Insights of Differanisole A
The XLogP value of 4.2 indicates that Differanisole A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Differanisole A. Following Lipinski's Rule of Five, Differanisole A has 2 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 Differanisole A?
The CAS number of Differanisole A is 94474-29-0.
What is the molecular formula of Differanisole A?
The molecular formula of Differanisole A is C11H12Cl2O4.
What is the molecular weight of Differanisole A?
The molecular weight of Differanisole A is 278.01 g/mol.
Where can I buy Differanisole A?
You can request a quote for Differanisole A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Differanisole A?
Yes, KEHONG BIO provides custom synthesis services for Differanisole A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.