![methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate structure](/static/products/956/956691-26-2.png)
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate
TL;DR: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate (CAS 956691-26-2) is a chemical compound with molecular formula C15H20N2O5S and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanylbutanoate
Also Known As: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate, (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)-4-(methylthio)butanoate, methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanylbutanoate
| Molecular Formula | C15H20N2O5S |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 1.5092 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.10928 |
| Heavy Atoms | 23 |
| Complexity | 566.7983 |
Chemical Identifiers
| CAS Number | 956691-26-2 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)NC(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate (CAS 956691-26-2), with molecular formula C15H20N2O5S and molecular weight 340.11 g/mol. IUPAC: methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanylbutanoate.
Chemical Property Profile of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate
Property Insights of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate
The XLogP value of 1.5092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate. Following Lipinski's Rule of Five, methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate has 2 hydrogen bond donor(s) and 6 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-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate?
The CAS number of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate is 956691-26-2.
What is the molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate?
The molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate is C15H20N2O5S.
What is the molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate?
The molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate is 340.11 g/mol.
Where can I buy methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate?
You can request a quote for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-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-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-methioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.