2(3H)-Benzoxazolone, 5-(1-methylethyl)-
TL;DR: 2(3H)-Benzoxazolone, 5-(1-methylethyl)- (CAS 31554-69-5) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-yl-3H-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 5-(1-methylethyl)-, 5-isopropyl-3H-benzooxazol-2-one, 5-propan-2-yl-3H-1,3-benzoxazol-2-one, 5-(Propan-2-yl)-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 31554-69-5 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=O)N2 |
| InChIKey | WAJNRCVFJBLXAQ-UHFFFAOYSA-N |
Product Overview
2(3H)-Benzoxazolone, 5-(1-methylethyl)- (CAS 31554-69-5), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 5-propan-2-yl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 5-(1-methylethyl)-
Property Insights of 2(3H)-Benzoxazolone, 5-(1-methylethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 5-(1-methylethyl)-. With a topological polar surface area (TPSA) of 38.3 Ų, 2(3H)-Benzoxazolone, 5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 5-(1-methylethyl)- 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(3H)-Benzoxazolone, 5-(1-methylethyl)-?
The CAS number of 2(3H)-Benzoxazolone, 5-(1-methylethyl)- is 31554-69-5.
What is the molecular formula of 2(3H)-Benzoxazolone, 5-(1-methylethyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 5-(1-methylethyl)- is C10H11NO2.
What is the molecular weight of 2(3H)-Benzoxazolone, 5-(1-methylethyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 5-(1-methylethyl)- is 177.08 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 5-(1-methylethyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 5-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.