![Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate structure](/static/products/4390/439094-79-8.webp)
Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate
TL;DR: Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate (CAS 439094-79-8) is a chemical compound with molecular formula C20H22Cl2N2O3 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2,4-dichlorophenyl)carbamoylamino]-3-(4-propan-2-ylphenyl)propanoate
Also Known As: 12R-0612, methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate, methyl 3-[(2,4-dichlorophenyl)carbamoylamino]-3-(4-propan-2-ylphenyl)propanoate, methyl 3-{[(2,4-dichlorophenyl)carbamoyl]amino}-3-[4-(propan-2-yl)phenyl]propanoate, methyl 3-{[(2,4-dichlorophenyl)carbamoyl]amino}-3-(4-isopropylphenyl)propanoate
| Molecular Formula | C20H22Cl2N2O3 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 5.5427 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.10074 |
| Heavy Atoms | 27 |
| Complexity | 807.37415 |
Chemical Identifiers
| CAS Number | 439094-79-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(CC(=O)OC)NC(=O)NC2=C(C=C(C=C2)Cl)Cl |
Product Overview
Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate (CAS 439094-79-8), with molecular formula C20H22Cl2N2O3 and molecular weight 408.10 g/mol. IUPAC: methyl 3-[(2,4-dichlorophenyl)carbamoylamino]-3-(4-propan-2-ylphenyl)propanoate.
Chemical Property Profile of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate
Property Insights of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate
The XLogP value of 5.5427 indicates that Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate?
The CAS number of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate is 439094-79-8.
What is the molecular formula of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate?
The molecular formula of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate is C20H22Cl2N2O3.
What is the molecular weight of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate?
The molecular weight of Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate is 408.10 g/mol.
Where can I buy Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate?
You can request a quote for Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(2,4-dichloroanilino)carbonyl]amino}-3-(4-isopropylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.