diazaborine
TL;DR: diazaborine (CAS 22959-81-5) is a chemical compound with molecular formula C9H13BN2O3S2 and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-6-methyl-2-propylsulfonylthieno[3,2-d]diazaborinine
Also Known As: diazaborine, Diazaborine A, Diazaborine compound 2b18, Pkf 84.474, 1,2-Dihydro-1-hydroxy-6-methyl-2-(propanesulfonyl)-thieno(3,2D)(1,2,3)-diazaborine
| Molecular Formula | C9H13BN2O3S2 |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 0.13332 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.04605 |
| Heavy Atoms | 17 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 22959-81-5 |
|---|---|
| SMILES | B1(C2=C(C=NN1S(=O)(=O)CCC)SC(=C2)C)O |
| InChIKey | TVXLILKNSPCVRB-UHFFFAOYSA-N |
Product Overview
diazaborine (CAS 22959-81-5), with molecular formula C9H13BN2O3S2 and molecular weight 272.05 g/mol. IUPAC: 1-hydroxy-6-methyl-2-propylsulfonylthieno[3,2-d]diazaborinine.
Chemical Property Profile of diazaborine
Property Insights of diazaborine
The XLogP value of 0.13332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diazaborine. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diazaborine. Following Lipinski's Rule of Five, diazaborine has 1 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 diazaborine?
The CAS number of diazaborine is 22959-81-5.
What is the molecular formula of diazaborine?
The molecular formula of diazaborine is C9H13BN2O3S2.
What is the molecular weight of diazaborine?
The molecular weight of diazaborine is 272.05 g/mol.
Where can I buy diazaborine?
You can request a quote for diazaborine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diazaborine?
Yes, KEHONG BIO provides custom synthesis services for diazaborine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.