![Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate structure](/static/products/389/389799-48-8.png)
Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate
TL;DR: Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate (CAS 389799-48-8) is a chemical compound with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]propanoylamino]benzoate
Also Known As: Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate, Ethyl 4-[3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]propanoylamino]benzoate, Ethyl 4-{[N-(5-amino-6-chloropyrimidin-4-yl)-beta-alanyl]amino}benzoate
| Molecular Formula | C16H18ClN5O3 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.3296 |
| Topological Polar Surface Area | 119.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.1098 |
| Heavy Atoms | 25 |
| Complexity | 751.9354 |
Chemical Identifiers
| CAS Number | 389799-48-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C(=NC=N2)Cl)N |
Product Overview
Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate (CAS 389799-48-8), with molecular formula C16H18ClN5O3 and molecular weight 363.11 g/mol. IUPAC: ethyl 4-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]propanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate
Property Insights of Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate
The XLogP value of 2.3296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate. The TPSA of 119.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate 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 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate?
The CAS number of Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate is 389799-48-8.
What is the molecular formula of Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate?
The molecular formula of Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate is C16H18ClN5O3.
What is the molecular weight of Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate?
The molecular weight of Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate is 363.11 g/mol.
Where can I buy Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate?
You can request a quote for Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]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-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.