![6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide structure](/static/products/866/866134-94-3.png)
6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide
TL;DR: 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide (CAS 866134-94-3) is a chemical compound with molecular formula C17H15ClN4O6S and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-methylsulfonyl-N-[(4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
Also Known As: 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide, 6-chloro-4-methylsulfonyl-N-[(4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
| Molecular Formula | C17H15ClN4O6S |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 1.9255 |
| Topological Polar Surface Area | 131.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.04007 |
| Heavy Atoms | 29 |
| Complexity | 1087.602 |
Chemical Identifiers
| CAS Number | 866134-94-3 |
|---|---|
| SMILES | CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide (CAS 866134-94-3), with molecular formula C17H15ClN4O6S and molecular weight 438.04 g/mol. IUPAC: 6-chloro-4-methylsulfonyl-N-[(4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
Chemical Property Profile of 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide
Property Insights of 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide
The XLogP value of 1.9255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide. The TPSA of 131.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide. Following Lipinski's Rule of Five, 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide has 1 hydrogen bond donor(s) and 7 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-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide?
The CAS number of 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide is 866134-94-3.
What is the molecular formula of 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide?
The molecular formula of 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide is C17H15ClN4O6S.
What is the molecular weight of 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide?
The molecular weight of 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide is 438.04 g/mol.
Where can I buy 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide?
You can request a quote for 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-(methylsulfonyl)-N'-[(4-nitrophenyl)methylene]-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.