![(S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester structure](/static/products/958/958952-22-2.png)
(S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester
TL;DR: (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester (CAS 958952-22-2) is a chemical compound with molecular formula C15H26N2O3 and molecular weight 282.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate
Also Known As: methyl (2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate, (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester
| Molecular Formula | C15H26N2O3 |
|---|---|
| Molecular Weight | 282.19 g/mol |
| LogP | 2.3737 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.19434 |
| Heavy Atoms | 20 |
| Complexity | 364.13013 |
Chemical Identifiers
| CAS Number | 958952-22-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NCCC1=CCCCC1 |
Product Overview
(S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester (CAS 958952-22-2), with molecular formula C15H26N2O3 and molecular weight 282.19 g/mol. IUPAC: methyl (2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate.
Chemical Property Profile of (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester
Property Insights of (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester
The XLogP value of 2.3737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester. Following Lipinski's Rule of Five, (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester has 2 hydrogen bond donor(s) and 3 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)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester?
The CAS number of (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester is 958952-22-2.
What is the molecular formula of (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester?
The molecular formula of (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester is C15H26N2O3.
What is the molecular weight of (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester?
The molecular weight of (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester is 282.19 g/mol.
Where can I buy (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester?
You can request a quote for (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(2-Cyclohex-1-enyl-ethyl)-ureido]-3-methyl-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.