![methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate structure](/static/products/100/100076-45-7.png)
methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate
TL;DR: methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate (CAS 100076-45-7) is a chemical compound with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoylamino]benzoate
Also Known As: (S)-methyl 2-(3-(1-methoxy-3-methyl-1-oxobutan-2-yl)ureido)benzoate, methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate, methyl 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoylamino]benzoate
| Molecular Formula | C15H20N2O5 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 1.7923 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1372 |
| Heavy Atoms | 22 |
| Complexity | 556.6187 |
Chemical Identifiers
| CAS Number | 100076-45-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=CC=C1C(=O)OC |
Product Overview
methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate (CAS 100076-45-7), with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol. IUPAC: methyl 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoylamino]benzoate.
Chemical Property Profile of methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate
Property Insights of methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate
The XLogP value of 1.7923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(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 methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 2-({[(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 methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
The CAS number of methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate is 100076-45-7.
What is the molecular formula of methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
The molecular formula of methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate is C15H20N2O5.
What is the molecular weight of methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
The molecular weight of methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate is 308.14 g/mol.
Where can I buy methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
You can request a quote for methyl 2-({[(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 methyl 2-({[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(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.