![Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate structure](/static/products/866/866144-46-9.png)
Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate
TL;DR: Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate (CAS 866144-46-9) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propanoate
Also Known As: methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate, 9T-0030, methyl 3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propanoate, methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(tert-butylcarbamoyl)amino]propanoate, Methyl 3-benzo[1,3]dioxol-5-yl-3-(tert-butylcarbamoylamino)propanoate
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 2.1172 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 594.62366 |
Chemical Identifiers
| CAS Number | 866144-46-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC(CC(=O)OC)C1=CC2=C(C=C1)OCO2 |
Product Overview
Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate (CAS 866144-46-9), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propanoate.
Chemical Property Profile of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate
Property Insights of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate
The XLogP value of 2.1172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate. Following Lipinski's Rule of Five, Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}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
Frequently Asked Questions
What is the CAS number of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate?
The CAS number of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate is 866144-46-9.
What is the molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate?
The molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate is C16H22N2O5.
What is the molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate?
The molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate is 322.15 g/mol.
Where can I buy Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate?
You can request a quote for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(tert-butylamino)carbonyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.