2(3H)-Benzoxazolone, 6-(1-oxobutyl)-
TL;DR: 2(3H)-Benzoxazolone, 6-(1-oxobutyl)- (CAS 70735-85-2) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butanoyl-3H-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-, 6-(1-Oxobutyl)-2(3H)-benzoxazolone, 6-butyroyl-2(3H)-benzoxazolone, 6-Butanoylbenzoxazol-2(3H)-one, 6-butanoyl-3H-1,3-benzoxazol-2-one
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.1039 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 550.20355 |
Chemical Identifiers
| CAS Number | 70735-85-2 |
|---|---|
| SMILES | CCCC(=O)C1=CC2=C(C=C1)NC(=O)O2 |
Product Overview
2(3H)-Benzoxazolone, 6-(1-oxobutyl)- (CAS 70735-85-2), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 6-butanoyl-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-
Property Insights of 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-
The XLogP value of 2.1039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-(1-oxobutyl)- has 1 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 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-?
The CAS number of 2(3H)-Benzoxazolone, 6-(1-oxobutyl)- is 70735-85-2.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 6-(1-oxobutyl)- is C11H11NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 6-(1-oxobutyl)- is 205.07 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 6-(1-oxobutyl)- 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, 6-(1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-(1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.