1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-
TL;DR: 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- (CAS 28249-66-3) is a chemical compound with molecular formula C12H10BNO and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3H-1,3,2-benzoxazaborole
Also Known As: 2,3,2-benzoxazaborole, 2,3-Dihydro-2-phenyl-1,3,2-benzoxazaborole, 2-phenyl-3H-1,3,2-benzoxazaborole, 1,3,2-BENZOXAZABOROLE, 2,3-DIHYDRO-2-PHENYL-, 2-phenyl-2,3-dihydro-1,3,2-benzoxazaborole
| Molecular Formula | C12H10BNO |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.89 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.08554 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 28249-66-3 |
|---|---|
| SMILES | B1(NC2=CC=CC=C2O1)C3=CC=CC=C3 |
| InChIKey | PBFCREGKEBBKAV-UHFFFAOYSA-N |
Product Overview
1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- (CAS 28249-66-3), with molecular formula C12H10BNO and molecular weight 195.09 g/mol. IUPAC: 2-phenyl-3H-1,3,2-benzoxazaborole.
Chemical Property Profile of 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-
Property Insights of 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-
The XLogP value of 1.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-. With a topological polar surface area (TPSA) of 21.3 Ų, 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- 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 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-?
The CAS number of 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- is 28249-66-3.
What is the molecular formula of 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-?
The molecular formula of 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- is C12H10BNO.
What is the molecular weight of 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-?
The molecular weight of 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- is 195.09 g/mol.
Where can I buy 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-?
You can request a quote for 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Benzoxazaborole, 2,3-dihydro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.