methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate
TL;DR: methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate (CAS 1173674-31-1) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylbutanoate
Also Known As: methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate, (R)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-3-methylbutanoate, methyl (2R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylbutanoate
Technical Specifications
| Molecular Formula | C14H18N2O5 |
| Molecular Weight | 294.12158 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.12158 Da |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
| SMILES | CC(C)[C@H](C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OCO2 |
| InChIKey | LDQNCWOQEYGFRT-GFCCVEGCSA-N |
Chemical Property Profile of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate
Property Insights of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate. Following Lipinski's Rule of Five, methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate 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
What is the CAS number of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate?
The CAS number of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate is 1173674-31-1.
What is the molecular formula of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate?
The molecular formula of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate is C14H18N2O5.
What is the molecular weight of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate?
The molecular weight of methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate is 294.12158 g/mol.
Where can I buy methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate?
You can request a quote for methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate?
Yes, CoreyChem provides custom synthesis services for methyl N-(1,3-benzodioxol-5-ylcarbamoyl)-D-valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.