![2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid structure](/static/products/436/436091-56-4.png)
2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid
TL;DR: 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid (CAS 436091-56-4) is a chemical compound with molecular formula C11H11NO5S and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid
Also Known As: Maybridge3_005661, IDI1_017048, 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid, 2-(2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethylthio)acetic acid
| Molecular Formula | C11H11NO5S |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.0358 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 436091-56-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSCC(=O)O |
| InChIKey | LIAVAFAWMHPSBL-UHFFFAOYSA-N |
Product Overview
2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid (CAS 436091-56-4), with molecular formula C11H11NO5S and molecular weight 269.04 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid
Property Insights of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid. Following Lipinski's Rule of Five, 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid has 2 hydrogen bond donor(s) and 6 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-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid?
The CAS number of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid is 436091-56-4.
What is the molecular formula of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid?
The molecular formula of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid is C11H11NO5S.
What is the molecular weight of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid?
The molecular weight of 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid is 269.04 g/mol.
Where can I buy 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid?
You can request a quote for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.