![4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one structure](/static/products/2173/217316-52-4.webp)
4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one
TL;DR: 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one (CAS 217316-52-4) is a chemical compound with molecular formula C13H13NO3S2 and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidenethiolan-3-one
Also Known As: 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one, (2Z)-4-amino-2-[(2,3-dimethoxyphenyl)methylene]-5-thioxo-tetrahydrothiophen-3-one, (2Z)-4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidenethiolan-3-one, 3(2H)-Thiophenone, 4-amino-2-[(2,3-dimethoxyphenyl)methylene]dihydro-5-thioxo-
| Molecular Formula | C13H13NO3S2 |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 2.0153 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0337 |
| Heavy Atoms | 19 |
| Complexity | 569.0068 |
Chemical Identifiers
| CAS Number | 217316-52-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C\2/C(=O)C(C(=S)S2)N |
Product Overview
4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one (CAS 217316-52-4), with molecular formula C13H13NO3S2 and molecular weight 295.03 g/mol. IUPAC: (2Z)-4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidenethiolan-3-one.
Chemical Property Profile of 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one
Property Insights of 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one
The XLogP value of 2.0153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one. Following Lipinski's Rule of Five, 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one has 1 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 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one?
The CAS number of 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one is 217316-52-4.
What is the molecular formula of 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one?
The molecular formula of 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one is C13H13NO3S2.
What is the molecular weight of 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one?
The molecular weight of 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one is 295.03 g/mol.
Where can I buy 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one?
You can request a quote for 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-2-[(2,3-dimethoxyphenyl)methylidene]-5-sulfanylidene-thiolan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.