3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine (CAS 3534-32-5) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dimethyl-2,4-dihydro-1,3-benzoxazine
Also Known As: NCIOpen2_001208, 3,8-dimethyl-3,4-dihydro-2H-1,3-benzoxazine, 3,4-Dihydro-3,8-dimethyl-2H-1,3-benzoxazine, 3,8-dimethyl-2,4-dihydro-1,3-benzoxazine, 2H-1,3-BENZOXAZINE, 3,4-DIHYDRO-3,8-DIMETHYL-
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3534-32-5 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)CN(CO2)C |
| InChIKey | CHTFTJLTMNDZBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine (CAS 3534-32-5), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 3,8-dimethyl-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine. With a topological polar surface area (TPSA) of 12.5 Ų, 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine has 0 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 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine is 3534-32-5.
What is the molecular formula of 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine is C10H13NO.
What is the molecular weight of 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine is 163.10 g/mol.
Where can I buy 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.