4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-
TL;DR: 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- (CAS 185142-51-2) is a chemical compound with molecular formula C10H8Cl2N2O5 and molecular weight 305.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,8-dichloro-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate
Also Known As: 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-[2-(nitrooxy)ethyl]-, 2-(6,8-dichloro-4-oxo-2H-1,3-benzoxazin-3(4H)-yl)ethyl nitrate, 2-(6,8-dichloro-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate, 2-(6,8-dichloro-4-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)ethyl nitrate, 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-
| Molecular Formula | C10H8Cl2N2O5 |
|---|---|
| Molecular Weight | 305.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.98102 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 185142-51-2 |
|---|---|
| SMILES | C1N(C(=O)C2=C(O1)C(=CC(=C2)Cl)Cl)CCO[N+](=O)[O-] |
| InChIKey | LECHDCLXICOSSG-UHFFFAOYSA-N |
Product Overview
4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- (CAS 185142-51-2), with molecular formula C10H8Cl2N2O5 and molecular weight 305.98 g/mol. IUPAC: 2-(6,8-dichloro-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate.
Chemical Property Profile of 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-
Property Insights of 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-. Following Lipinski's Rule of Five, 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- has 0 hydrogen bond donor(s) and 5 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 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-?
The CAS number of 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- is 185142-51-2.
What is the molecular formula of 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-?
The molecular formula of 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- is C10H8Cl2N2O5.
What is the molecular weight of 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-?
The molecular weight of 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- is 305.98 g/mol.
Where can I buy 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-?
You can request a quote for 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-benzoxazin-4-one, 6,8-dichloro-2,3-dihydro-3-(2-(nitrooxy)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.