3,4-Dihydro-2H-1,4-benzoxazine
TL;DR: 3,4-Dihydro-2H-1,4-benzoxazine (CAS 98491-38-4) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,4-benzoxazine
Also Known As: Benzomorpholine, 3,4-Dihydro-2H-1,4-benzoxazine, 3,4-dihydro-2H-benzo[b][1,4]oxazine, 3,4-Dihydro-2H-benzo[1,4]oxazine, 2H-1,4-Benzoxazine, 3,4-dihydro-
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 98491-38-4 |
|---|---|
| SMILES | C1COC2=CC=CC=C2N1 |
| InChIKey | YRLORWPBJZEGBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-2H-1,4-benzoxazine (CAS 98491-38-4), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 3,4-dihydro-2H-1,4-benzoxazine.
Chemical Property Profile of 3,4-Dihydro-2H-1,4-benzoxazine
Property Insights of 3,4-Dihydro-2H-1,4-benzoxazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2H-1,4-benzoxazine. With a topological polar surface area (TPSA) of 21.3 Ų, 3,4-Dihydro-2H-1,4-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2H-1,4-benzoxazine 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 3,4-Dihydro-2H-1,4-benzoxazine?
The CAS number of 3,4-Dihydro-2H-1,4-benzoxazine is 98491-38-4.
What is the molecular formula of 3,4-Dihydro-2H-1,4-benzoxazine?
The molecular formula of 3,4-Dihydro-2H-1,4-benzoxazine is C8H9NO.
What is the molecular weight of 3,4-Dihydro-2H-1,4-benzoxazine?
The molecular weight of 3,4-Dihydro-2H-1,4-benzoxazine is 135.07 g/mol.
Where can I buy 3,4-Dihydro-2H-1,4-benzoxazine?
You can request a quote for 3,4-Dihydro-2H-1,4-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2H-1,4-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2H-1,4-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.