5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine
TL;DR: 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine (CAS 137052-96-1) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-9-(4-nitrophenyl)-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene
Also Known As: 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine, 4H-Pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine, 5,6-dihydro-3-methyl-6-(4-nitrophenyl)-, 3-Methyl-5,6-dihydro-6-(4-nitrophenyl)-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine, 3-Methyl-6-(4-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine, 5-methyl-9-(4-nitrophenyl)-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene
Technical Specifications
| Molecular Formula | C17H15N3O2S |
| Molecular Weight | 325.0885 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 91.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.0885 Da |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
| SMILES | CC1=CSC2=C1CNC(C3=CC=CN32)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | HUBOFMDWGOFJNG-UHFFFAOYSA-N |
Chemical Property Profile of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine
Property Insights of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine
The XLogP value of 3.2 indicates that 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine. Following Lipinski's Rule of Five, 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine?
The CAS number of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine is 137052-96-1.
What is the molecular formula of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine?
The molecular formula of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine is C17H15N3O2S.
What is the molecular weight of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine?
The molecular weight of 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine is 325.0885 g/mol.
Where can I buy 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine?
You can request a quote for 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine?
Yes, CoreyChem provides custom synthesis services for 5,6-Dihydro-3-methyl-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(3,2-f)(1,4)diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.