Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate
TL;DR: Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate (CAS 86845-35-4) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylate
Also Known As: methyl 7-amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylate, BAS 03213168, methyl 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylate, 3,3'-Bis(trifluoromethyl)diphenylmethane, methyl 6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 0.8266 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 402.65402 |
Chemical Identifiers
| CAS Number | 86845-35-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1N)OCCO2 |
Product Overview
Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate (CAS 86845-35-4), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: methyl 6-amino-2,3-dihydro-1,4-benzodioxine-7-carboxylate.
Chemical Property Profile of Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate
Property Insights of Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate
The XLogP value of 0.8266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate. Following Lipinski's Rule of Five, Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate 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 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate?
The CAS number of Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate is 86845-35-4.
What is the molecular formula of Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate?
The molecular formula of Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate is C10H11NO4.
What is the molecular weight of Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate?
The molecular weight of Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate is 209.07 g/mol.
Where can I buy Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate?
You can request a quote for Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.