Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate
TL;DR: Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate (CAS 87378-50-5) is a chemical compound with molecular formula C15H19N3O7 and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-[(4-hydroxy-3-nitrobenzoyl)amino]propanoylamino]propanoate
Also Known As: Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate, ethyl 3-[3-[(4-hydroxy-3-nitrobenzoyl)amino]propanoylamino]p, ethyl 3-[3-[(4-hydroxy-3-nitrobenzoyl)amino]propanoylamino]propanoate, ETHYL 3-[3-[(4-HYDROXY-3-NITRO-BENZOYL)AMINO]PROPANOYLAMINO]PROPANOATE
| Molecular Formula | C15H19N3O7 |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.1223 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 87378-50-5 |
|---|---|
| SMILES | CCOC(=O)CCNC(=O)CCNC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | XRNKCKCTLJETGQ-UHFFFAOYSA-N |
Product Overview
Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate (CAS 87378-50-5), with molecular formula C15H19N3O7 and molecular weight 353.12 g/mol. IUPAC: ethyl 3-[3-[(4-hydroxy-3-nitrobenzoyl)amino]propanoylamino]propanoate.
Chemical Property Profile of Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate
Property Insights of Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate. The TPSA of 151.0 Ų indicates high polarity, suggesting Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate has 3 hydrogen bond donor(s) and 7 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 N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate?
The CAS number of Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate is 87378-50-5.
What is the molecular formula of Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate?
The molecular formula of Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate is C15H19N3O7.
What is the molecular weight of Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate?
The molecular weight of Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate is 353.12 g/mol.
Where can I buy Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate?
You can request a quote for Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(4-hydroxy-3-nitrobenzoyl)-beta-alanyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.