2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-
TL;DR: 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- (CAS 5765-88-8) is a chemical compound with molecular formula C10H8O4S and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid
Also Known As: Neodymium,compd. with tin (3:1), 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-, 3-(1,3-benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid, 2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-2-mercapto-, 3-(2H-1,3-Benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid
| Molecular Formula | C10H8O4S |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.01433 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 5765-88-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)S |
| InChIKey | YQBNFBIPHUDRDU-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- (CAS 5765-88-8), with molecular formula C10H8O4S and molecular weight 224.01 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-
Property Insights of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-. With a topological polar surface area (TPSA) of 56.8 Ų, 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- has 2 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 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-?
The CAS number of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- is 5765-88-8.
What is the molecular formula of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-?
The molecular formula of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- is C10H8O4S.
What is the molecular weight of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-?
The molecular weight of 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- is 224.01 g/mol.
Where can I buy 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-?
You can request a quote for 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-mercapto-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.