Diapren
TL;DR: Diapren (CAS 58481-80-4) is a chemical compound with molecular formula C22H31Cl3N2O6 and molecular weight 524.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)propanoic acid;3,6-dichloro-2-methoxybenzoic acid;bis(N-methylmethanamine)
Also Known As: Diapren, 2-(4-chloro-2-methylphenoxy)propanoic acid; 3,6-dichloro-2-methoxybenzoic acid; N-methylmethanamine, Benzoic acid, 3,6-dichloro-2-methoxy-, compd. with N-methylmethanamine (1:1), mixt. with N-methylmethanamine 2-(4-chloro-2-methylphenoxy)propanoate
| Molecular Formula | C22H31Cl3N2O6 |
|---|---|
| Molecular Weight | 524.12 g/mol |
| LogP | 4.87172 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.12476 |
| Heavy Atoms | 33 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 58481-80-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O.CNC.CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl |
| InChIKey | LJXGLQWLORNQQY-UHFFFAOYSA-N |
Product Overview
Diapren (CAS 58481-80-4), with molecular formula C22H31Cl3N2O6 and molecular weight 524.12 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)propanoic acid;3,6-dichloro-2-methoxybenzoic acid;bis(N-methylmethanamine).
Chemical Property Profile of Diapren
Property Insights of Diapren
The XLogP value of 4.87172 indicates that Diapren is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diapren. Following Lipinski's Rule of Five, Diapren has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diapren?
The CAS number of Diapren is 58481-80-4.
What is the molecular formula of Diapren?
The molecular formula of Diapren is C22H31Cl3N2O6.
What is the molecular weight of Diapren?
The molecular weight of Diapren is 524.12 g/mol.
Where can I buy Diapren?
You can request a quote for Diapren directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diapren?
Yes, KEHONG BIO provides custom synthesis services for Diapren and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.