![4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol structure](/static/products/2084/20841-00-3.webp)
4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol
TL;DR: 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol (CAS 20841-00-3) is a chemical compound with molecular formula C5H4BN3O3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-4-nitro-2H-thieno[2,3-d]diazaborinine
Also Known As: 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, 1-hydroxy-4-nitro-2H-thieno[2,3-d]diazaborinine, AI-942/13331005, 4-nitro-2H-thieno[2,3-d][1,2,3]diazaborinin-1-ol, 4-Nitrothieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol
| Molecular Formula | C5H4BN3O3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | -1.0229 |
| Topological Polar Surface Area | 87.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.00664 |
| Heavy Atoms | 13 |
| Complexity | 390.13126 |
Chemical Identifiers
| CAS Number | 20841-00-3 |
|---|---|
| SMILES | B1(C2=C(C=CS2)C(=NN1)[N+](=O)[O-])O |
Product Overview
4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol (CAS 20841-00-3), with molecular formula C5H4BN3O3S and molecular weight 197.01 g/mol. IUPAC: 1-hydroxy-4-nitro-2H-thieno[2,3-d]diazaborinine.
Chemical Property Profile of 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol
Property Insights of 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol
The XLogP value of -1.0229 indicates that 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol. Following Lipinski's Rule of Five, 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol has 2 hydrogen bond donor(s) and 6 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)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol?
The CAS number of 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol is 20841-00-3.
What is the molecular formula of 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol?
The molecular formula of 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol is C5H4BN3O3S.
What is the molecular weight of 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol?
The molecular weight of 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol is 197.01 g/mol.
Where can I buy 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol?
You can request a quote for 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(nitro)thieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.