2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- (CAS 80427-93-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butanoyl-3-methyl-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-, 3-Methyl-6-(1-oxobutyl)-2(3H)-benzoxazolone, 3-Methyl-6-butanoylbenzoxazol-2(3H)-one, 3-methyl-6-butyroyl-2(3H)-benzoxazolone, 6-butanoyl-3-methyl-1,3-benzoxazol-2-one
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.1143 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 591.81995 |
Chemical Identifiers
| CAS Number | 80427-93-6 |
|---|---|
| SMILES | CCCC(=O)C1=CC2=C(C=C1)N(C(=O)O2)C |
Product Overview
2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- (CAS 80427-93-6), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 6-butanoyl-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-
The XLogP value of 2.1143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-. With a topological polar surface area (TPSA) of 52.21 Ų, 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- 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 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- is 80427-93-6.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- is C12H13NO3.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- is 219.09 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-methyl-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, 3-methyl-6-(1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.