2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol
TL;DR: 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol (CAS 91132-80-8) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
Also Known As: 2,3-Dihydro-2-isopropyl-4H-1,3-benzoxazin-4-one, 2-Isopropyl-2H-1,3-benzoxazin-4(3H)-one, 2H-1,3-Benzoxazin-4(3H)-one, 2-isopropyl-, 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol, 4-27-00-02770 (Beilstein Handbook Reference)
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 91132-80-8 |
|---|---|
| SMILES | CC(C)C1NC(=O)C2=CC=CC=C2O1 |
| InChIKey | ITSWJRRWFLDUEY-UHFFFAOYSA-N |
Product Overview
2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol (CAS 91132-80-8), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 2-propan-2-yl-2,3-dihydro-1,3-benzoxazin-4-one.
Chemical Property Profile of 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol
Property Insights of 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol 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-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol?
The CAS number of 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol is 91132-80-8.
What is the molecular formula of 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol?
The molecular formula of 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol is C11H13NO2.
What is the molecular weight of 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol?
The molecular weight of 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol is 191.09 g/mol.
Where can I buy 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol?
You can request a quote for 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Propan-2-yl)-2H-1,3-benzoxazin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.