Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate
TL;DR: Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate (CAS 704878-75-1) is a chemical compound with molecular formula C14H11Cl2NO4 and molecular weight 327.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate
Also Known As: propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate, J3.434.931B, methylethyl 4-(3,4-dichloro-2,5-dioxoazolinyl)benzoate, 4-(3,4-Dichloro-2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-benzoic acid 1-methylethyl ester, isopropyl 4-(3,4-dichloro-2,5-dioxo-pyrrol-1-yl)benzoate
| Molecular Formula | C14H11Cl2NO4 |
|---|---|
| Molecular Weight | 327.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0065 |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 704878-75-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)Cl |
| InChIKey | LZAMLWVXUVJMPU-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate (CAS 704878-75-1), with molecular formula C14H11Cl2NO4 and molecular weight 327.01 g/mol. IUPAC: propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate.
Chemical Property Profile of Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate
Property Insights of Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate
The XLogP value of 3.4 indicates that Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)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 Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate?
The CAS number of Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate is 704878-75-1.
What is the molecular formula of Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate?
The molecular formula of Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate is C14H11Cl2NO4.
What is the molecular weight of Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate?
The molecular weight of Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate is 327.01 g/mol.
Where can I buy Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate?
You can request a quote for Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.