(S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate
TL;DR: (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate (CAS 1173671-99-2) is a chemical compound with molecular formula C16H23ClN2O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-4-methylpentanoate
Also Known As: (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate, methyl (2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-4-methylpentanoate
| Molecular Formula | C16H23ClN2O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 2.7694 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.1397 |
| Heavy Atoms | 22 |
| Complexity | 488.66922 |
Chemical Identifiers
| CAS Number | 1173671-99-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NCCC1=CC=C(C=C1)Cl |
Product Overview
(S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate (CAS 1173671-99-2), with molecular formula C16H23ClN2O3 and molecular weight 326.14 g/mol. IUPAC: methyl (2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-4-methylpentanoate.
Chemical Property Profile of (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate
Property Insights of (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate
The XLogP value of 2.7694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate 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 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate?
The CAS number of (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate is 1173671-99-2.
What is the molecular formula of (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate?
The molecular formula of (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate is C16H23ClN2O3.
What is the molecular weight of (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate?
The molecular weight of (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate is 326.14 g/mol.
Where can I buy (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate?
You can request a quote for (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(4-chlorophenethyl)ureido)-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.