1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-
TL;DR: 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- (CAS 31748-13-7) is a chemical compound with molecular formula C10H14BNO and molecular weight 175.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3H-1,3,2-benzoxazaborole
Also Known As: o-Aminophenol cyclic butaneboronate, 2-butyl-3H-1,3,2-benzoxazaborole, 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-, 2-Butyl-2,3-dihydro-1,3,2-benzoxazaborole, 2-Butyl-2,3-dihydro-1,3,2-benzoxazaborole #
| Molecular Formula | C10H14BNO |
|---|---|
| Molecular Weight | 175.12 g/mol |
| LogP | 2.7792 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.11685 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 31748-13-7 |
|---|---|
| SMILES | B1(NC2=CC=CC=C2O1)CCCC |
| InChIKey | ISCVMVVOSDMEPD-UHFFFAOYSA-N |
Product Overview
1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- (CAS 31748-13-7), with molecular formula C10H14BNO and molecular weight 175.12 g/mol. IUPAC: 2-butyl-3H-1,3,2-benzoxazaborole.
Chemical Property Profile of 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-
Property Insights of 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-
The XLogP value of 2.7792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-. With a topological polar surface area (TPSA) of 21.3 Ų, 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- 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-butyl-2,3-dihydro-?
The CAS number of 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- is 31748-13-7.
What is the molecular formula of 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-?
The molecular formula of 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- is C10H14BNO.
What is the molecular weight of 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-?
The molecular weight of 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- is 175.12 g/mol.
Where can I buy 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro-?
You can request a quote for 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- 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-butyl-2,3-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Benzoxazaborole, 2-butyl-2,3-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.