![ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate structure](/static/products/7012/701276-25-7.webp)
ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate
TL;DR: ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate (CAS 701276-25-7) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(4-butoxybenzoyl)amino]carbamoylamino]benzoate
Also Known As: ethyl 4-[[(4-butoxybenzoyl)amino]carbamoylamino]benzoate, ethyl 4-(2-(4-butoxybenzoyl)hydrazinecarboxamido)benzoate, ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate, ethyl 4-[({2-[(4-butoxyphenyl)carbonyl]hydrazinyl}carbonyl)amino]benzoate
| Molecular Formula | C21H25N3O5 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 3.5087 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1794 |
| Heavy Atoms | 29 |
| Complexity | 819.21515 |
Chemical Identifiers
| CAS Number | 701276-25-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)NC2=CC=C(C=C2)C(=O)OCC |
Product Overview
ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate (CAS 701276-25-7), with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol. IUPAC: ethyl 4-[[(4-butoxybenzoyl)amino]carbamoylamino]benzoate.
Chemical Property Profile of ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate
Property Insights of ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate
The XLogP value of 3.5087 indicates that ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate has 3 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 ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate?
The CAS number of ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate is 701276-25-7.
What is the molecular formula of ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate?
The molecular formula of ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate is C21H25N3O5.
What is the molecular weight of ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate?
The molecular weight of ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate is 399.18 g/mol.
Where can I buy ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate?
You can request a quote for ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({N-[(4-butoxyphenyl)carbonylamino]carbamoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.