methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate (CAS 383899-44-3) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate
Also Known As: methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate, methyl 3-(5,6-dihydro-1,4-dioxine-2-carboxamido)-5-methyl-1H-indole-2-carboxylate, methyl 3-[(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)amino]-5-methyl-1H-indole-2-carboxylate
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 383899-44-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2NC(=O)C3=COCCO3)C(=O)OC |
| InChIKey | UVYPUCXOLBJKDU-UHFFFAOYSA-N |
Product Overview
methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate (CAS 383899-44-3), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate has 2 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-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate is 383899-44-3.
What is the molecular formula of methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate is C16H16N2O5.
What is the molecular weight of methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate is 316.11 g/mol.
Where can I buy methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-5-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.