![methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate structure](/static/products/6128/612802-44-5.webp)
methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 612802-44-5) is a chemical compound with molecular formula C18H17NO6 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate, methyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-amino-5-oxo-4H-6,7,8-trihydrochr omene-3-carboxylate
| Molecular Formula | C18H17NO6 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 1.8795 |
| Topological Polar Surface Area | 97.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.1056 |
| Heavy Atoms | 25 |
| Complexity | 837.9681 |
Chemical Identifiers
| CAS Number | 612802-44-5 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)N |
Product Overview
methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 612802-44-5), with molecular formula C18H17NO6 and molecular weight 343.11 g/mol. IUPAC: methyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 1.8795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. The TPSA of 97.08 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 612802-44-5.
What is the molecular formula of methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C18H17NO6.
What is the molecular weight of methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 343.11 g/mol.
Where can I buy methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.