![Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate structure](/static/products/866/866136-97-2.png)
Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate
TL;DR: Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate (CAS 866136-97-2) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 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-(methylcarbamothioylamino)propanoate
Also Known As: methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate, methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(methylcarbamothioyl)amino]propanoate, methyl 3-(1,3-benzodioxol-5-yl)-3-(methylcarbamothioylamino)propanoate, Methyl 3-benzo[1,3]dioxol-5-yl-3-(methylthiocarbamoylamino)propanoate, methyl3-(2H-1,3-benzodioxol-5-yl)-3-[(methylcarbamothioyl)amino]propanoate
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.1134 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 503.09265 |
Chemical Identifiers
| CAS Number | 866136-97-2 |
|---|---|
| SMILES | CNC(=S)NC(CC(=O)OC)C1=CC2=C(C=C1)OCO2 |
Product Overview
Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate (CAS 866136-97-2), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)-3-(methylcarbamothioylamino)propanoate.
Chemical Property Profile of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate
Property Insights of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate
The XLogP value of 1.1134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate. Following Lipinski's Rule of Five, Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]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-{[(methylamino)carbothioyl]amino}propanoate?
The CAS number of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate is 866136-97-2.
What is the molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate?
The molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate is C13H16N2O4S.
What is the molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate?
The molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate is 296.08 g/mol.
Where can I buy Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate?
You can request a quote for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]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-{[(methylamino)carbothioyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(methylamino)carbothioyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.