![2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid structure](/static/products/1139/113942-30-6.webp)
2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid
TL;DR: 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid (CAS 113942-30-6) is a chemical compound with molecular formula C11H11NO6S and molecular weight 285.0307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid
Also Known As: Temozolomideacid, Temozolomide Acid, -2-oxoethyl]sulfinylacetic acid, EX-A4721, ASN 03576800
Technical Specifications
| Molecular Formula | C11H11NO6S |
| Molecular Weight | 285.0307 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.0307 Da |
| Heavy Atoms | 19 |
| Complexity | 387.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CS(=O)CC(=O)O |
| InChIKey | ABHAISRFDMHVAA-UHFFFAOYSA-N |
Chemical Property Profile of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid
Property Insights of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid. Following Lipinski's Rule of Five, 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid?
The CAS number of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid is 113942-30-6.
What is the molecular formula of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid?
The molecular formula of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid is C11H11NO6S.
What is the molecular weight of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid?
The molecular weight of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid is 285.0307 g/mol.
Where can I buy 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid?
You can request a quote for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.