IMI072
TL;DR: IMI072 (CAS 5729-25-9) is a chemical compound with molecular formula C15H10Cl2N2O5 and molecular weight 368.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2,4-dichlorophenyl)carbamoyl]-5-nitrobenzoate
Also Known As: IMI072, methyl 3-[(2,4-dichlorophenyl)carbamoyl]-5-nitrobenzoate, BIM-0029213.P001, methyl 5-[N-(2,4-dichlorophenyl)carbamoyl]-3-nitrobenzoate, METHYL 3-[(2,4-DICHLOROANILINO)CARBONYL]-5-NITROBENZOATE
| Molecular Formula | C15H10Cl2N2O5 |
|---|---|
| Molecular Weight | 368.00 g/mol |
| LogP | 3.9405 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.99667 |
| Heavy Atoms | 24 |
| Complexity | 838.60925 |
Chemical Identifiers
| CAS Number | 5729-25-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
Product Overview
IMI072 (CAS 5729-25-9), with molecular formula C15H10Cl2N2O5 and molecular weight 368.00 g/mol. IUPAC: methyl 3-[(2,4-dichlorophenyl)carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of IMI072
Property Insights of IMI072
The XLogP value of 3.9405 indicates that IMI072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for IMI072. Following Lipinski's Rule of Five, IMI072 has 1 hydrogen bond donor(s) and 5 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 IMI072?
The CAS number of IMI072 is 5729-25-9.
What is the molecular formula of IMI072?
The molecular formula of IMI072 is C15H10Cl2N2O5.
What is the molecular weight of IMI072?
The molecular weight of IMI072 is 368.00 g/mol.
Where can I buy IMI072?
You can request a quote for IMI072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IMI072?
Yes, KEHONG BIO provides custom synthesis services for IMI072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.