1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one
TL;DR: 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one (CAS 85277-02-7) is a chemical compound with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-10-oxa-2,4,5-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,7,11,13,15-hexaen-6-one
Also Known As: methyl[?]one, 2,3-diamino-1,2,4-triazinone, 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one, 4-methyl-1,2-dihydrobenzofuropyrrolo-1,2,4-triazin-1-one, 1-Methyl[1]benzofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-4(3H)-one
| Molecular Formula | C13H9N3O2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.06947 |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 85277-02-7 |
|---|---|
| SMILES | CC1=NNC(=O)C2=CC3=C(N12)C4=CC=CC=C4O3 |
| InChIKey | XETMUEDGNYIKPB-UHFFFAOYSA-N |
Product Overview
1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one (CAS 85277-02-7), with molecular formula C13H9N3O2 and molecular weight 239.07 g/mol. IUPAC: 3-methyl-10-oxa-2,4,5-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,7,11,13,15-hexaen-6-one.
Chemical Property Profile of 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one
Property Insights of 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one. With a topological polar surface area (TPSA) of 59.5 Ų, 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one has 1 hydrogen bond donor(s) and 3 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 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one?
The CAS number of 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one is 85277-02-7.
What is the molecular formula of 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one?
The molecular formula of 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one is C13H9N3O2.
What is the molecular weight of 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one?
The molecular weight of 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one is 239.07 g/mol.
Where can I buy 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one?
You can request a quote for 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl(1)benzofuro(2',3':4,5)pyrrolo(1,2-d)(1,2,4)triazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.