2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-
TL;DR: 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- (CAS 4885-27-2) is a chemical compound with molecular formula C8H9BN2 and molecular weight 144.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2H-2,3,1-benzodiazaborinine
Also Known As: 1-methyl-2H-2,3,1-benzodiazaborinine, 1,2-Dihydro-1-methyl-2,3,1-benzodiazaborine, 1-Methyl-1,2-dihydro-2,3,1-benzodiazaborinine, 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-, 1-Methyl-1,2-dihydro-2,3,1-benzodiazaborinine #
| Molecular Formula | C8H9BN2 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 0.452 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.08588 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4885-27-2 |
|---|---|
| SMILES | B1(C2=CC=CC=C2C=NN1)C |
| InChIKey | APSCAXKGZJHSAU-UHFFFAOYSA-N |
Product Overview
2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- (CAS 4885-27-2), with molecular formula C8H9BN2 and molecular weight 144.09 g/mol. IUPAC: 1-methyl-2H-2,3,1-benzodiazaborinine.
Chemical Property Profile of 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-
Property Insights of 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-
The XLogP value of 0.452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-. With a topological polar surface area (TPSA) of 24.4 Ų, 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- has 1 hydrogen bond donor(s) and 2 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 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-?
The CAS number of 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- is 4885-27-2.
What is the molecular formula of 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-?
The molecular formula of 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- is C8H9BN2.
What is the molecular weight of 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-?
The molecular weight of 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- is 144.09 g/mol.
Where can I buy 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-?
You can request a quote for 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,3,1-Benzodiazaborine, 1,2-dihydro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.