![methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate structure](/static/products/956/956040-98-5.png)
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate
TL;DR: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate (CAS 956040-98-5) is a chemical compound with molecular formula C19H20N2O5 and molecular weight 356.14 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)-3-phenylpropanoate
Also Known As: methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate, (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)-3-phenylpropanoate, methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoate
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 1.9988 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 778.7539 |
Chemical Identifiers
| CAS Number | 956040-98-5 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate (CAS 956040-98-5), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: methyl (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoate.
Chemical Property Profile of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate
Property Insights of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate
The XLogP value of 1.9988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate. 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-phenylalaninate. Following Lipinski's Rule of Five, methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate 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-phenylalaninate?
The CAS number of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate is 956040-98-5.
What is the molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate?
The molecular formula of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate is C19H20N2O5.
What is the molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate?
The molecular weight of methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate is 356.14 g/mol.
Where can I buy methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate?
You can request a quote for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate 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-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-L-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.