2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- (CAS 54903-65-0) is a chemical compound with molecular formula C13H9NO3S and molecular weight 259.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-(thiophene-2-carbonyl)-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-, 3-Methyl-6-(2-thienylcarbonyl)-2(3H)-benzoxazolone, 3-methyl-6-(thiophene-2-carbonyl)-1,3-benzoxazol-2-one, 3-Methyl-6-(thiophene-2-carbonyl)-1,3-benzoxazol-2(3H)-one, BRN 0541140
| Molecular Formula | C13H9NO3S |
|---|---|
| Molecular Weight | 259.03 g/mol |
| LogP | 2.424 |
| Topological Polar Surface Area | 52.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0303 |
| Heavy Atoms | 18 |
| Complexity | 780.27905 |
Chemical Identifiers
| CAS Number | 54903-65-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)C3=CC=CS3)OC1=O |
Product Overview
2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- (CAS 54903-65-0), with molecular formula C13H9NO3S and molecular weight 259.03 g/mol. IUPAC: 3-methyl-6-(thiophene-2-carbonyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-
The XLogP value of 2.424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-. With a topological polar surface area (TPSA) of 52.21 Ų, 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- has 0 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, 3-methyl-6-(2-thienylcarbonyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- is 54903-65-0.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- is C13H9NO3S.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- is 259.03 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-methyl-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, 3-methyl-6-(2-thienylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-methyl-6-(2-thienylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.