(S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate
TL;DR: (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate (CAS 1173677-77-4) is a chemical compound with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
Also Known As: (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate, methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
| Molecular Formula | C16H24N2O5 |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 2.413 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.16852 |
| Heavy Atoms | 23 |
| Complexity | 545.27216 |
Chemical Identifiers
| CAS Number | 1173677-77-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)NC1=C(C=CC(=C1)OC)OC |
Product Overview
(S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate (CAS 1173677-77-4), with molecular formula C16H24N2O5 and molecular weight 324.17 g/mol. IUPAC: methyl (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate.
Chemical Property Profile of (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate
Property Insights of (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate
The XLogP value of 2.413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate 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)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate?
The CAS number of (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate is 1173677-77-4.
What is the molecular formula of (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate?
The molecular formula of (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate is C16H24N2O5.
What is the molecular weight of (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate?
The molecular weight of (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate is 324.17 g/mol.
Where can I buy (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate?
You can request a quote for (S)-methyl 2-(3-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(2,5-dimethoxyphenyl)ureido)-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.