![4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine structure](/static/products/1343/13435-82-0.webp)
4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine
TL;DR: 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine (CAS 13435-82-0) is a chemical compound with molecular formula C6H6BN3O2S and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitro-2H-thieno[3,2-d]diazaborinine
Also Known As: 1-methyl-4-nitro-2H-thieno[3,2-d]diazaborinine, 4-(nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine, AI-942/13331040, 1-methyl-4-nitro-2H-thiopheno[3,2-d]1,2,3-diazaborine, 1-methyl-4-nitro-1H,2H-thieno[3,2-d][1,2,3]diazaborinine
| Molecular Formula | C6H6BN3O2S |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 0.1179 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.02737 |
| Heavy Atoms | 13 |
| Complexity | 388.98602 |
Chemical Identifiers
| CAS Number | 13435-82-0 |
|---|---|
| SMILES | B1(C2=C(C(=NN1)[N+](=O)[O-])SC=C2)C |
Product Overview
4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine (CAS 13435-82-0), with molecular formula C6H6BN3O2S and molecular weight 195.03 g/mol. IUPAC: 1-methyl-4-nitro-2H-thieno[3,2-d]diazaborinine.
Chemical Property Profile of 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine
Property Insights of 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine
The XLogP value of 0.1179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine. Following Lipinski's Rule of Five, 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine has 1 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 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine?
The CAS number of 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine is 13435-82-0.
What is the molecular formula of 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine?
The molecular formula of 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine is C6H6BN3O2S.
What is the molecular weight of 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine?
The molecular weight of 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine is 195.03 g/mol.
Where can I buy 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine?
You can request a quote for 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Nitro)-1-methyl-1,2-dihydrothieno[3,2-d][1,2,3]diazaborinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.