2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine
TL;DR: 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine (CAS 153255-65-3) is a chemical compound with molecular formula C21H16ClNO and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-4,4-diphenyl-3,1-benzoxazine
Also Known As: ChemDiv1_025048, 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine, 2-(chloromethyl)-4,4-diphenyl-3,1-benzoxazine, 2-chloromethyl-4,4-diphenyl-4h-3,1-benzoxazine, 2-(chloromethyl)-4,4-diphenylbenzo[d]1,3-oxazine
| Molecular Formula | C21H16ClNO |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.09204 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 153255-65-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3N=C(O2)CCl)C4=CC=CC=C4 |
| InChIKey | BZIPAVPJRBHIRY-UHFFFAOYSA-N |
Product Overview
2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine (CAS 153255-65-3), with molecular formula C21H16ClNO and molecular weight 333.09 g/mol. IUPAC: 2-(chloromethyl)-4,4-diphenyl-3,1-benzoxazine.
Chemical Property Profile of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine
Property Insights of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine
The XLogP value of 5.1 indicates that 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.6 Ų, 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine?
The CAS number of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine is 153255-65-3.
What is the molecular formula of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine?
The molecular formula of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine is C21H16ClNO.
What is the molecular weight of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine?
The molecular weight of 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine is 333.09 g/mol.
Where can I buy 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine?
You can request a quote for 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-4,4-diphenyl-4H-3,1-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.