2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-
TL;DR: 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- (CAS 90284-36-9) is a chemical compound with molecular formula C12H11NOS and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-yl-2,4-dihydro-1H-3,1-benzoxazine
Also Known As: 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-, 2-thiophen-2-yl-2,4-dihydro-1H-3,1-benzoxazine, 2-(2-Thienyl)-1,4-dihydro-2H-3,1-benzoxazine, 1,2-Dihydro-2-(2-thienyl)-4H-3,1-benzoxazine, 2-(2-Thienyl)-1,4-dihydro-2H-3,1-benzoxazine #
| Molecular Formula | C12H11NOS |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.05614 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 90284-36-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2NC(O1)C3=CC=CS3 |
| InChIKey | LNCZINRUPOOCMU-UHFFFAOYSA-N |
Product Overview
2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- (CAS 90284-36-9), with molecular formula C12H11NOS and molecular weight 217.06 g/mol. IUPAC: 2-thiophen-2-yl-2,4-dihydro-1H-3,1-benzoxazine.
Chemical Property Profile of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-
Property Insights of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-. With a topological polar surface area (TPSA) of 49.5 Ų, 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- 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 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-?
The CAS number of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- is 90284-36-9.
What is the molecular formula of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-?
The molecular formula of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- is C12H11NOS.
What is the molecular weight of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-?
The molecular weight of 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- is 217.06 g/mol.
Where can I buy 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)-?
You can request a quote for 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- 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-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,1-Benzoxazine, 1,4-dihydro-2-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.