![methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate structure](/static/products/346/346450-27-9.png)
methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate
TL;DR: methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate (CAS 346450-27-9) is a chemical compound with molecular formula C17H15N3O5 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indole-2-carboxylate
Also Known As: methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate, methyl 3-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-1H-indole-2-carboxylate, methyl 3-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-1H-indole-2-carboxylate
| Molecular Formula | C17H15N3O5 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 0.5893 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.10117 |
| Heavy Atoms | 25 |
| Complexity | 1072.6665 |
Chemical Identifiers
| CAS Number | 346450-27-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=C2C3=CC=CC=C3N=C2C(=O)OC)O |
Product Overview
methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate (CAS 346450-27-9), with molecular formula C17H15N3O5 and molecular weight 341.10 g/mol. IUPAC: methyl 3-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indole-2-carboxylate.
Chemical Property Profile of methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate
Property Insights of methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate
The XLogP value of 0.5893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate. The TPSA of 102.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 6 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-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate?
The CAS number of methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate is 346450-27-9.
What is the molecular formula of methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate?
The molecular formula of methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate is C17H15N3O5.
What is the molecular weight of methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate?
The molecular weight of methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate is 341.10 g/mol.
Where can I buy methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate?
You can request a quote for methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)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-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.