(S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate
TL;DR: (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate (CAS 1173683-15-2) is a chemical compound with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate
Also Known As: (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate, ethyl 4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate
| Molecular Formula | C17H24N2O5 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 2.5725 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.16852 |
| Heavy Atoms | 24 |
| Complexity | 568.8486 |
Chemical Identifiers
| CAS Number | 1173683-15-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)N[C@@H](CC(C)C)C(=O)OC |
Product Overview
(S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate (CAS 1173683-15-2), with molecular formula C17H24N2O5 and molecular weight 336.17 g/mol. IUPAC: ethyl 4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate.
Chemical Property Profile of (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate
Property Insights of (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate
The XLogP value of 2.5725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate. Following Lipinski's Rule of Five, (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)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 (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate?
The CAS number of (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate is 1173683-15-2.
What is the molecular formula of (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate?
The molecular formula of (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate is C17H24N2O5.
What is the molecular weight of (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate?
The molecular weight of (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate is 336.17 g/mol.
Where can I buy (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate?
You can request a quote for (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 4-(3-(1-methoxy-4-methyl-1-oxopentan-2-yl)ureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.