4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-
TL;DR: 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- (CAS 51901-62-3) is a chemical compound with molecular formula C8H7BO3 and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3,2-benzodioxaborinin-4-one
Also Known As: 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-, 2-methyl-1,3,2-benzodioxaborinin-4-one, 2-Methyl-4H-1,3,2-benzodioxaborin-4-one, 2-Methyl-4H-1,3,2-benzodioxaborinin-4-one #, 2-methyl-4H-benzo[d][1,3,2]dioxaborinin-4-one
| Molecular Formula | C8H7BO3 |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 1.3538 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04883 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 51901-62-3 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2C(=O)O1)C |
| InChIKey | LXTNRPWDQOVYGT-UHFFFAOYSA-N |
Product Overview
4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- (CAS 51901-62-3), with molecular formula C8H7BO3 and molecular weight 162.05 g/mol. IUPAC: 2-methyl-1,3,2-benzodioxaborinin-4-one.
Chemical Property Profile of 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-
Property Insights of 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-
The XLogP value of 1.3538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-. With a topological polar surface area (TPSA) of 35.5 Ų, 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- has 0 hydrogen bond donor(s) and 3 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 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-?
The CAS number of 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- is 51901-62-3.
What is the molecular formula of 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-?
The molecular formula of 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- is C8H7BO3.
What is the molecular weight of 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-?
The molecular weight of 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- is 162.05 g/mol.
Where can I buy 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-?
You can request a quote for 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3,2-Benzodioxaborin-4-one, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.