![Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate structure](/static/products/866/866136-96-1.png)
Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate
TL;DR: Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate (CAS 866136-96-1) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 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-(methanesulfonamido)propanoate
Also Known As: methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate, 8T-0028, methyl 3-(1,3-benzodioxol-5-yl)-3-(methanesulfonamido)propanoate, methyl 3-(2H-1,3-benzodioxol-5-yl)-3-methanesulfonamidopropanoate, Methyl 3-benzo[1,3]dioxol-5-yl-3-methanesulfonamido-propanoate
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.5687 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 612.3736 |
Chemical Identifiers
| CAS Number | 866136-96-1 |
|---|---|
| SMILES | COC(=O)CC(C1=CC2=C(C=C1)OCO2)NS(=O)(=O)C |
Product Overview
Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate (CAS 866136-96-1), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)-3-(methanesulfonamido)propanoate.
Chemical Property Profile of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate
Property Insights of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate
The XLogP value of 0.5687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate. Following Lipinski's Rule of Five, Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate has 1 hydrogen bond donor(s) and 6 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-[(methylsulfonyl)amino]propanoate?
The CAS number of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate is 866136-96-1.
What is the molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate?
The molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate is C12H15NO6S.
What is the molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate?
The molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate is 301.06 g/mol.
Where can I buy Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate?
You can request a quote for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)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-[(methylsulfonyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(methylsulfonyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.