Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate
TL;DR: Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate (CAS 600147-89-5) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoacetate
Also Known As: ethyl [(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]formate, BAS 06980697, ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate, ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoacetate, ethyl[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]formate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.9594 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 471.5356 |
Chemical Identifiers
| CAS Number | 600147-89-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC2=C(C=C1)OCCO2 |
Product Overview
Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate (CAS 600147-89-5), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoacetate.
Chemical Property Profile of Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate
Property Insights of Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate
The XLogP value of 0.9594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate. Following Lipinski's Rule of Five, Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate 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 Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate?
The CAS number of Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate is 600147-89-5.
What is the molecular formula of Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate?
The molecular formula of Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate is C12H13NO5.
What is the molecular weight of Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate?
The molecular weight of Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate is 251.08 g/mol.
Where can I buy Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate?
You can request a quote for Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2,3-dihydro-1,4-benzodioxin-6-ylamino)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.