(S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate
TL;DR: (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate (CAS 134807-16-2) is a chemical compound with molecular formula C12H23N3O3 and molecular weight 257.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoate
Also Known As: (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate, Methyl 3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoate, methyl (2S)-3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoate
| Molecular Formula | C12H23N3O3 |
|---|---|
| Molecular Weight | 257.17 g/mol |
| LogP | 0.141 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.17395 |
| Heavy Atoms | 18 |
| Complexity | 298.94275 |
Chemical Identifiers
| CAS Number | 134807-16-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C |
Product Overview
(S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate (CAS 134807-16-2), with molecular formula C12H23N3O3 and molecular weight 257.17 g/mol. IUPAC: methyl (2S)-3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoate.
Chemical Property Profile of (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate
Property Insights of (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate
The XLogP value of 0.141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate. Following Lipinski's Rule of Five, (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate has 1 hydrogen bond donor(s) and 4 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 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate?
The CAS number of (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate is 134807-16-2.
What is the molecular formula of (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate?
The molecular formula of (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate is C12H23N3O3.
What is the molecular weight of (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate?
The molecular weight of (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate is 257.17 g/mol.
Where can I buy (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate?
You can request a quote for (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 3-methyl-2-(4-methylpiperazine-1-carboxamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.