6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione
TL;DR: 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione (CAS 24088-81-1) is a chemical compound with molecular formula C8H4ClNO3 and molecular weight 196.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,3-benzoxazine-2,4-dione
Also Known As: 6-Chloroisatin, 6-chloroisatoic anhydride, 6-Chloroisatin anhydride, 1-Octyne, 8-chloro-, 6-chloro-1,3-benzoxazine-2,4-dione
| Molecular Formula | C8H4ClNO3 |
|---|---|
| Molecular Weight | 196.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.98798 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 24088-81-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)NC(=O)O2 |
| InChIKey | QYCPYRXDUHFORA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione (CAS 24088-81-1), with molecular formula C8H4ClNO3 and molecular weight 196.99 g/mol. IUPAC: 6-chloro-1,3-benzoxazine-2,4-dione.
Chemical Property Profile of 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione
Property Insights of 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-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-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione?
The CAS number of 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione is 24088-81-1.
What is the molecular formula of 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione?
The molecular formula of 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione is C8H4ClNO3.
What is the molecular weight of 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione?
The molecular weight of 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione is 196.99 g/mol.
Where can I buy 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione?
You can request a quote for 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.