![(S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate structure](/static/products/117/1173660-43-9.webp)
(S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate
TL;DR: (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate (CAS 1173660-43-9) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)propanoate
Also Known As: (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate, methyl (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)propanoate
Technical Specifications
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.09027 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.09027 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | C[C@@H](C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OCO2 |
| InChIKey | RPXFMTGJQLZQRF-ZETCQYMHSA-N |
Chemical Property Profile of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate
Property Insights of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate 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 (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate?
The CAS number of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate is 1173660-43-9.
What is the molecular formula of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate?
The molecular formula of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate is C12H14N2O5.
What is the molecular weight of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate?
The molecular weight of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate is 266.09027 g/mol.
Where can I buy (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate?
You can request a quote for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate?
Yes, CoreyChem provides custom synthesis services for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.