6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one (CAS 866137-47-5) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pyrrol-1-yl-4H-1,4-benzoxazin-3-one
Also Known As: Bionet2_001085, 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one, 6-pyrrol-1-yl-4H-1,4-benzoxazin-3-one, 6-(1H-pyrrol-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 8T-0310
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.8082 |
| Topological Polar Surface Area | 43.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 531.9567 |
Chemical Identifiers
| CAS Number | 866137-47-5 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)N3C=CC=C3 |
Product Overview
6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one (CAS 866137-47-5), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 6-pyrrol-1-yl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.8082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 43.26 Ų, 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one has 1 hydrogen bond donor(s) and 2 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 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one is 866137-47-5.
What is the molecular formula of 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one is C12H10N2O2.
What is the molecular weight of 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one is 214.07 g/mol.
Where can I buy 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(1H-pyrrol-1-yl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.