2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-
TL;DR: 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- (CAS 54903-14-9) is a chemical compound with molecular formula C12H7NO3S and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(thiophene-2-carbonyl)-3H-1,3-benzoxazol-2-one
Also Known As: 6-(2-Thienoyl)-2-benzoxazolinone, 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-, 6-Thenoyl-2(3H)-benzoxazolone, 6-(2-Thienylcarbonyl)-2(3H)-benzoxazolone, 6-(thiophene-2-carbonyl)-3H-1,3-benzoxazol-2-one
| Molecular Formula | C12H7NO3S |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.01466 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 54903-14-9 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)O3 |
| InChIKey | KJWQYEHVOQJWCT-UHFFFAOYSA-N |
Product Overview
2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- (CAS 54903-14-9), with molecular formula C12H7NO3S and molecular weight 245.01 g/mol. IUPAC: 6-(thiophene-2-carbonyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-
Property Insights of 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- 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-(2-thienylcarbonyl)-?
The CAS number of 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- is 54903-14-9.
What is the molecular formula of 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- is C12H7NO3S.
What is the molecular weight of 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- is 245.01 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- 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-(2-thienylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 6-(2-thienylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.