rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester
TL;DR: rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester (CAS 92829-53-3) is a chemical compound with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[[amino(methylsulfanyl)methylidene]hydrazinylidene]methyl]-2-hydroxybenzoic acid
Also Known As: rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester, Benzoic acid, 2-hydroxy-3-[[[imino(methylthio)methyl]hydrazono]methyl]-, 5-[[2-[amino(methylsulfanyl)methylidene]hydrazinyl]methylidene]-6-oxocyclohexa-1,3-diene-1-carboxylic acid
| Molecular Formula | C10H11N3O3S |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.102 |
| Topological Polar Surface Area | 108.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05211 |
| Heavy Atoms | 17 |
| Complexity | 485.6845 |
Chemical Identifiers
| CAS Number | 92829-53-3 |
|---|---|
| SMILES | CSC(=NN=CC1=C(C(=CC=C1)C(=O)O)O)N |
Product Overview
rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester (CAS 92829-53-3), with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol. IUPAC: 3-[[[amino(methylsulfanyl)methylidene]hydrazinylidene]methyl]-2-hydroxybenzoic acid.
Chemical Property Profile of rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester
Property Insights of rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester
The XLogP value of 1.102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester. The TPSA of 108.27 Ų falls within the moderate polarity range, balancing permeability and solubility for rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester. Following Lipinski's Rule of Five, rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester has 3 hydrogen bond donor(s) and 5 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 rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester?
The CAS number of rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester is 92829-53-3.
What is the molecular formula of rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester?
The molecular formula of rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester is C10H11N3O3S.
What is the molecular weight of rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester?
The molecular weight of rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester is 253.05 g/mol.
Where can I buy rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester?
You can request a quote for rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester?
Yes, KEHONG BIO provides custom synthesis services for rac.-2-Acetoxy-3-carboxy-propionsaeure-ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.