6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione
TL;DR: 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS 4693-00-9) is a chemical compound with molecular formula C8H3Cl2NO3 and molecular weight 230.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-1H-3,1-benzoxazine-2,4-dione
Also Known As: 3,5-Dichloroisatoic anhydride, 6,8-dichloro-1H-benzo[d][1,3]oxazine-2,4-dione, 6,8-dichloro-1H-3,1-benzoxazine-2,4-dione, 3,5-Dichloroisatoicanhydride, 6,8-dichloroisatoic anhydride
| Molecular Formula | C8H3Cl2NO3 |
|---|---|
| Molecular Weight | 230.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.949 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 4693-00-9 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=O)OC(=O)N2)Cl)Cl |
| InChIKey | VOCGTJXVKKCXJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione (CAS 4693-00-9), with molecular formula C8H3Cl2NO3 and molecular weight 230.95 g/mol. IUPAC: 6,8-dichloro-1H-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione
Property Insights of 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione has 1 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 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione?
The CAS number of 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione is 4693-00-9.
What is the molecular formula of 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione?
The molecular formula of 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione is C8H3Cl2NO3.
What is the molecular weight of 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione?
The molecular weight of 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione is 230.95 g/mol.
Where can I buy 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione?
You can request a quote for 6,8-Dichloro-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 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.