![Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate structure](/static/products/866/866136-98-3.png)
Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate
TL;DR: Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate (CAS 866136-98-3) is a chemical compound with molecular formula C13H14ClNO5 and molecular weight 299.06 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-[(2-chloroacetyl)amino]propanoate
Also Known As: methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate, methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetamido)propanoate, 8T-0030, methyl3-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetamido)propanoate, Methyl 3-benzo[1,3]dioxol-5-yl-3-[(2-chloroacetyl)amino]propanoate
| Molecular Formula | C13H14ClNO5 |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 1.3745 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.05606 |
| Heavy Atoms | 20 |
| Complexity | 501.48303 |
Chemical Identifiers
| CAS Number | 866136-98-3 |
|---|---|
| SMILES | COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCl |
Product Overview
Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate (CAS 866136-98-3), with molecular formula C13H14ClNO5 and molecular weight 299.06 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate.
Chemical Property Profile of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate
Property Insights of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate
The XLogP value of 1.3745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate. Following Lipinski's Rule of Five, Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate has 1 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-[(2-chloroacetyl)amino]propanoate?
The CAS number of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate is 866136-98-3.
What is the molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate?
The molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate is C13H14ClNO5.
What is the molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate?
The molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate is 299.06 g/mol.
Where can I buy Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate?
You can request a quote for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)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-[(2-chloroacetyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-chloroacetyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.