(2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate
TL;DR: (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate (CAS 958965-85-0) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate
Also Known As: (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate, methyl (2S)-3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 958965-85-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)NC(C)CCC1=CC=CC=C1 |
| InChIKey | KRWUPCIQJYNXJB-WUJWULDRSA-N |
Product Overview
(2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate (CAS 958965-85-0), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: methyl (2S)-3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate.
Chemical Property Profile of (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate
Property Insights of (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate
The XLogP value of 3.4 indicates that (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate. Following Lipinski's Rule of Five, (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate 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 (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate?
The CAS number of (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate is 958965-85-0.
What is the molecular formula of (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate?
The molecular formula of (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate is C17H26N2O3.
What is the molecular weight of (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate?
The molecular weight of (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate is 306.19 g/mol.
Where can I buy (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate?
You can request a quote for (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (2S)-methyl 3-methyl-2-(3-(4-phenylbutan-2-yl)ureido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.