methyl N-(pentylcarbamoyl)-L-methioninate
TL;DR: methyl N-(pentylcarbamoyl)-L-methioninate (CAS 1040225-85-1) is a chemical compound with molecular formula C12H24N2O3S and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate
Also Known As: methyl N-(pentylcarbamoyl)-L-methioninate, (S)-methyl 4-(methylthio)-2-(3-pentylureido)butanoate, Methyl 4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate, methyl (2S)-4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate
| Molecular Formula | C12H24N2O3S |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 1.7705 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 276.15076 |
| Heavy Atoms | 18 |
| Complexity | 249.47702 |
Chemical Identifiers
| CAS Number | 1040225-85-1 |
|---|---|
| SMILES | CCCCCNC(=O)N[C@@H](CCSC)C(=O)OC |
Product Overview
methyl N-(pentylcarbamoyl)-L-methioninate (CAS 1040225-85-1), with molecular formula C12H24N2O3S and molecular weight 276.15 g/mol. IUPAC: methyl (2S)-4-methylsulfanyl-2-(pentylcarbamoylamino)butanoate.
Chemical Property Profile of methyl N-(pentylcarbamoyl)-L-methioninate
Property Insights of methyl N-(pentylcarbamoyl)-L-methioninate
The XLogP value of 1.7705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(pentylcarbamoyl)-L-methioninate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(pentylcarbamoyl)-L-methioninate. Following Lipinski's Rule of Five, methyl N-(pentylcarbamoyl)-L-methioninate has 2 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 methyl N-(pentylcarbamoyl)-L-methioninate?
The CAS number of methyl N-(pentylcarbamoyl)-L-methioninate is 1040225-85-1.
What is the molecular formula of methyl N-(pentylcarbamoyl)-L-methioninate?
The molecular formula of methyl N-(pentylcarbamoyl)-L-methioninate is C12H24N2O3S.
What is the molecular weight of methyl N-(pentylcarbamoyl)-L-methioninate?
The molecular weight of methyl N-(pentylcarbamoyl)-L-methioninate is 276.15 g/mol.
Where can I buy methyl N-(pentylcarbamoyl)-L-methioninate?
You can request a quote for methyl N-(pentylcarbamoyl)-L-methioninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(pentylcarbamoyl)-L-methioninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(pentylcarbamoyl)-L-methioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.