RefChem:327369
TL;DR: RefChem:327369 (CAS 62609-84-1) is a chemical compound with molecular formula C21H21Cl2NO5 and molecular weight 437.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoate
Also Known As: Benzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, methyl ester, Methyl 4-(1-(((2,4-dichlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)benzoate, Methyl 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate, Benzoic acid, 4-(1-(((2,4-dichlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-, methyl ester, methyl 4-({1-[(2,4-dichlorophenyl)amino]-4,4-dimethyl-1,3-dioxopentan-2-yl}oxy)benzoate
| Molecular Formula | C21H21Cl2NO5 |
|---|---|
| Molecular Weight | 437.08 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.07968 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 62609-84-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC2=CC=C(C=C2)C(=O)OC |
| InChIKey | PCTGLIYVNCBXCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:327369 (CAS 62609-84-1), with molecular formula C21H21Cl2NO5 and molecular weight 437.08 g/mol. IUPAC: methyl 4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoate.
Chemical Property Profile of RefChem:327369
Property Insights of RefChem:327369
The XLogP value of 5.8 indicates that RefChem:327369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327369. Following Lipinski's Rule of Five, RefChem:327369 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327369?
The CAS number of RefChem:327369 is 62609-84-1.
What is the molecular formula of RefChem:327369?
The molecular formula of RefChem:327369 is C21H21Cl2NO5.
What is the molecular weight of RefChem:327369?
The molecular weight of RefChem:327369 is 437.08 g/mol.
Where can I buy RefChem:327369?
You can request a quote for RefChem:327369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327369?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.