2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole
TL;DR: 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole (CAS 63181-66-8) is a chemical compound with molecular formula C13H13BN2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1,3-dihydro-1,3,2-benzodiazaborole
Also Known As: 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole, AH-034/32473046, J3.130.780E, 2-p-Tolyl-2,3-dihydro-1H-benzo[1,3,2]diazaborole, 2-(4-methylphenyl)-1,3-dihydro-1,3,2-benzodiazaborole
| Molecular Formula | C13H13BN2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.22782 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.11717 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 63181-66-8 |
|---|---|
| SMILES | B1(NC2=CC=CC=C2N1)C3=CC=C(C=C3)C |
| InChIKey | KUNFGCMJKMLSRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole (CAS 63181-66-8), with molecular formula C13H13BN2 and molecular weight 208.12 g/mol. IUPAC: 2-(4-methylphenyl)-1,3-dihydro-1,3,2-benzodiazaborole.
Chemical Property Profile of 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole
Property Insights of 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole
The XLogP value of 2.22782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole. With a topological polar surface area (TPSA) of 24.1 Ų, 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole has 2 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-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
The CAS number of 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole is 63181-66-8.
What is the molecular formula of 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
The molecular formula of 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole is C13H13BN2.
What is the molecular weight of 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
The molecular weight of 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole is 208.12 g/mol.
Where can I buy 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
You can request a quote for 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.