![methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate structure](/static/products/956/956795-82-7.png)
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate
TL;DR: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate (CAS 956795-82-7) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 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)propanoate
Also Known As: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate, (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)propanoate, methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoate
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 0.776 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 517.48303 |
Chemical Identifiers
| CAS Number | 956795-82-7 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate (CAS 956795-82-7), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoate.
Chemical Property Profile of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate
Property Insights of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate
The XLogP value of 0.776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate. 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-alaninate. Following Lipinski's Rule of Five, methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate 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 methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate?
The CAS number of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate is 956795-82-7.
What is the molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate?
The molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate is C13H16N2O5.
What is the molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate?
The molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate is 280.11 g/mol.
Where can I buy methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate?
You can request a quote for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate 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-alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.