![ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate structure](/static/products/117/1173675-88-1.png)
ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate
TL;DR: ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate (CAS 1173675-88-1) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoylamino]benzoate
Also Known As: (S)-ethyl 3-(3-(1-methoxy-3-methyl-1-oxobutan-2-yl)ureido)benzoate, ethyl 3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoylamino]benzoate, ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 2.1824 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 571.34393 |
Chemical Identifiers
| CAS Number | 1173675-88-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)N[C@@H](C(C)C)C(=O)OC |
Product Overview
ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate (CAS 1173675-88-1), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: ethyl 3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoylamino]benzoate.
Chemical Property Profile of ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate
Property Insights of ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate
The XLogP value of 2.1824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate has 2 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 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
The CAS number of ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate is 1173675-88-1.
What is the molecular formula of ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
The molecular formula of ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate is C16H22N2O5.
What is the molecular weight of ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
The molecular weight of ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate is 322.15 g/mol.
Where can I buy ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
You can request a quote for ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]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 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.