(S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
TL;DR: (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate (CAS 1173665-82-1) is a chemical compound with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoate
Also Known As: methyl N-[(4-methylbenzyl)carbamoyl]-L-leucinate, (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
| Molecular Formula | C16H24N2O3 |
|---|---|
| Molecular Weight | 292.18 g/mol |
| LogP | 2.38192 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.17868 |
| Heavy Atoms | 21 |
| Complexity | 468.91537 |
Chemical Identifiers
| CAS Number | 1173665-82-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)N[C@@H](CC(C)C)C(=O)OC |
Product Overview
(S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate (CAS 1173665-82-1), with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol. IUPAC: methyl (2S)-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoate.
Chemical Property Profile of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
Property Insights of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate
The XLogP value of 2.38192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate. Following Lipinski's Rule of Five, (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate 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)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
The CAS number of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate is 1173665-82-1.
What is the molecular formula of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
The molecular formula of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate is C16H24N2O3.
What is the molecular weight of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
The molecular weight of (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate is 292.18 g/mol.
Where can I buy (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
You can request a quote for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 4-methyl-2-(3-(4-methylbenzyl)ureido)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.