6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
TL;DR: 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 845986-65-4) is a chemical compound with molecular formula C15H13BrClNO and molecular weight 336.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-(3-chloro-4-methylphenyl)-2,4-dihydro-1,3-benzoxazine
Also Known As: 6-bromo-3-(3-chloro-4-methylphenyl)-2,4-dihydro-1,3-benzoxazine, 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine, 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine
| Molecular Formula | C15H13BrClNO |
|---|---|
| Molecular Weight | 336.99 g/mol |
| LogP | 4.76742 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.9869 |
| Heavy Atoms | 19 |
| Complexity | 629.5378 |
Chemical Identifiers
| CAS Number | 845986-65-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC3=C(C=CC(=C3)Br)OC2)Cl |
Product Overview
6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine (CAS 845986-65-4), with molecular formula C15H13BrClNO and molecular weight 336.99 g/mol. IUPAC: 6-bromo-3-(3-chloro-4-methylphenyl)-2,4-dihydro-1,3-benzoxazine.
Chemical Property Profile of 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
Property Insights of 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine
The XLogP value of 4.76742 indicates that 6-bromo-3-(3-chloro-4-methylphenyl)-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 12.47 Ų, 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-3-(3-chloro-4-methylphenyl)-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 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The CAS number of 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is 845986-65-4.
What is the molecular formula of 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular formula of 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is C15H13BrClNO.
What is the molecular weight of 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
The molecular weight of 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine is 336.99 g/mol.
Where can I buy 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
You can request a quote for 6-bromo-3-(3-chloro-4-methylphenyl)-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 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-1,3-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.