7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
TL;DR: 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione (CAS 84657-50-1) is a chemical compound with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
Also Known As: 7-chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione, 7-Chloro-3-[(propan-2-ylidene)amino]-2H-1,3-benzoxazine-2,4(3H)-dione
| Molecular Formula | C11H9ClN2O3 |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.03017 |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 84657-50-1 |
|---|---|
| SMILES | CC(=NN1C(=O)C2=C(C=C(C=C2)Cl)OC1=O)C |
| InChIKey | AOQHPYFYTDLPIL-UHFFFAOYSA-N |
Product Overview
7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione (CAS 84657-50-1), with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol. IUPAC: 7-chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione.
Chemical Property Profile of 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
Property Insights of 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione. With a topological polar surface area (TPSA) of 59.0 Ų, 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione has 0 hydrogen bond donor(s) and 4 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 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
The CAS number of 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione is 84657-50-1.
What is the molecular formula of 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
The molecular formula of 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione is C11H9ClN2O3.
What is the molecular weight of 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
The molecular weight of 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione is 252.03 g/mol.
Where can I buy 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
You can request a quote for 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-(propan-2-ylideneamino)-1,3-benzoxazine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.