2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-
TL;DR: 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- (CAS 90284-38-1) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-pyrrol-2-yl)-2,4-dihydro-1H-3,1-benzoxazine
Also Known As: 2-(1H-pyrrol-2-yl)-2,4-dihydro-1H-3,1-benzoxazine, 2-(1H-pyrrol-2-yl)-1,4-dihydro-2H-3,1-benzoxazine, 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-, 1,2-Dihydro-2-(1H-pyrrol-2-yl)-4H-3,1-benzoxazine
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 90284-38-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2NC(O1)C3=CC=CN3 |
| InChIKey | SWDRSDFYFSKCSE-UHFFFAOYSA-N |
Product Overview
2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- (CAS 90284-38-1), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 2-(1H-pyrrol-2-yl)-2,4-dihydro-1H-3,1-benzoxazine.
Chemical Property Profile of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-
Property Insights of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-. With a topological polar surface area (TPSA) of 37.1 Ų, 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- has 2 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 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-?
The CAS number of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- is 90284-38-1.
What is the molecular formula of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-?
The molecular formula of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- is C12H12N2O.
What is the molecular weight of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-?
The molecular weight of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- is 200.09 g/mol.
Where can I buy 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-?
You can request a quote for 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,1-Benzoxazine, 1,4-dihydro-2-(1H-pyrrol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.