![Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate structure](/static/products/831/831247-08-6.png)
Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate
TL;DR: Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate (CAS 831247-08-6) is a chemical compound with molecular formula C26H26N2O4 and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-methyl-3-(4-phenylbutanoylamino)benzoyl]amino]benzoate
Also Known As: methyl 2-(2-methyl-3-(4-phenylbutanamido)benzamido)benzoate, methyl 2-[[2-methyl-3-(4-phenylbutanoylamino)benzoyl]amino]benzoate, methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate
| Molecular Formula | C26H26N2O4 |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 4.99532 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.18927 |
| Heavy Atoms | 32 |
| Complexity | 1109.8196 |
Chemical Identifiers
| CAS Number | 831247-08-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate (CAS 831247-08-6), with molecular formula C26H26N2O4 and molecular weight 430.19 g/mol. IUPAC: methyl 2-[[2-methyl-3-(4-phenylbutanoylamino)benzoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate
Property Insights of Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate
The XLogP value of 4.99532 indicates that Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate has 2 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 Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate?
The CAS number of Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate is 831247-08-6.
What is the molecular formula of Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate?
The molecular formula of Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate is C26H26N2O4.
What is the molecular weight of Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate?
The molecular weight of Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate is 430.19 g/mol.
Where can I buy Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate?
You can request a quote for Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[({2-methyl-3-[(4-phenylbutanoyl)amino]phenyl}carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.