2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-
TL;DR: 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- (CAS 54903-38-7) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-thiophen-2-ylpropanoyl)-3H-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-, 6-(1-Oxo-3-(2-thienyl)propyl)-2(3H)-benzoxazolone, 6-(3-thiophen-2-ylpropanoyl)-3H-1,3-benzoxazol-2-one, 6-[3-(Thiophen-2-yl)propanoyl]-1,3-benzoxazol-2(3H)-one, BRN 0545192
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.9981 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 767.44434 |
Chemical Identifiers
| CAS Number | 54903-38-7 |
|---|---|
| SMILES | C1=CSC(=C1)CCC(=O)C2=CC3=C(C=C2)NC(=O)O3 |
Product Overview
2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- (CAS 54903-38-7), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 6-(3-thiophen-2-ylpropanoyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-
Property Insights of 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-
The XLogP value of 2.9981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- has 1 hydrogen bond donor(s) and 4 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-oxo-3-(2-thienyl)propyl)-?
The CAS number of 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- is 54903-38-7.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- is C14H11NO3S.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- is 273.05 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- 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-oxo-3-(2-thienyl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-(1-oxo-3-(2-thienyl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.