3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine (CAS 52386-29-5) is a chemical compound with molecular formula C16H17NO and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine
Also Known As: 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine, C(c1ccccc1)N2COc3ccc(C)cc3C2, 3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine, 3-Benzyl-3,4-dihydro-6-methyl-2H-1,3-benzoxazine, 3-Benzyl-6-methyl-3,4-dihydro-2H-benzo[e][1,3]oxazine
| Molecular Formula | C16H17NO |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.13101 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 52386-29-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCN(C2)CC3=CC=CC=C3 |
| InChIKey | VFGSMUQJSKXXKH-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine (CAS 52386-29-5), with molecular formula C16H17NO and molecular weight 239.13 g/mol. IUPAC: 3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 3.5 indicates that 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-6-methyl-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-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine is 52386-29-5.
What is the molecular formula of 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine is C16H17NO.
What is the molecular weight of 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine is 239.13 g/mol.
Where can I buy 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 3-Benzyl-6-methyl-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-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.