3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-
TL;DR: 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- (CAS 62903-64-4) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
Also Known As: 5-Ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2(1H)-one, 3H-1,4-BENZODIAZEPIN-2(1H)-ONE, 5-ETHOXY-1-METHYL-7-NITRO-, 5-25-02-00008 (Beilstein Handbook Reference), 5-ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one, 5-Ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2 -one
Technical Specifications
| Molecular Formula | C12H13N3O4 |
| Molecular Weight | 263.0906 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0906 Da |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
| SMILES | CCOC1=NCC(=O)N(C2=C1C=C(C=C2)[N+](=O)[O-])C |
| InChIKey | JLKXQSZBUMAJNW-UHFFFAOYSA-N |
Product Description
Applications: 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- (CAS 62903-64-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- (CAS 62903-64-4) is a fine chemical with the molecular formula C12H13N3O4 and a molecular weight of 263.09 g/mol. It is also known as 5-Ethoxy-1-methyl-7-nitro-3H-1,4-benzodiazepin-2(1H)-one and 3H-1,4-BENZODIAZEPIN-2(1H)-ONE, 5-ETHOXY-1-METHYL-7-NITRO-.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-
Property Insights of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-. Following Lipinski's Rule of Five, 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- 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
What is the CAS number of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-?
The CAS number of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- is 62903-64-4.
What is the molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-?
The molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- is C12H13N3O4.
What is the molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-?
The molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- is 263.0906 g/mol.
What are the applications of 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-?
3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- (CAS 62903-64-4) with custom...
Where can I buy 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-?
You can request a quote for 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro-?
Yes, CoreyChem provides custom synthesis services for 3H-1,4-Benzodiazepin-2(1H)-one, 5-ethoxy-1-methyl-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.