1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione
TL;DR: 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione (CAS 654635-53-7) is a chemical compound with molecular formula C15H9Cl2NO3 and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
Also Known As: 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione, AE-848/12530201, 1-[(3,4-dichlorophenyl)methyl]-3,1-benzoxazine-2,4-dione, 1-[(3,4-DICHLOROPHENYL)METHYL]-2,4-DIHYDRO-1H-3,1-BENZOXAZINE-2,4-DIONE
| Molecular Formula | C15H9Cl2NO3 |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.99594 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 654635-53-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=O)N2CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | CEXHIAUUEJDSRO-UHFFFAOYSA-N |
Product Overview
1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione (CAS 654635-53-7), with molecular formula C15H9Cl2NO3 and molecular weight 321.00 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione
Property Insights of 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione
The XLogP value of 4.0 indicates that 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione has 0 hydrogen bond donor(s) and 3 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 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
The CAS number of 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione is 654635-53-7.
What is the molecular formula of 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
The molecular formula of 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione is C15H9Cl2NO3.
What is the molecular weight of 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
The molecular weight of 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione is 321.00 g/mol.
Where can I buy 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
You can request a quote for 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorobenzyl)-2H-3,1-benzoxazine-2,4(1H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.