![(E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate structure](/static/products/501/501112-76-1.png)
(E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate
TL;DR: (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate (CAS 501112-76-1) is a chemical compound with molecular formula C15H12N2O4S2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(14,16-dioxo-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-13-ylidene)acetate
Also Known As: (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate, methyl (2E)-(3,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)ethanoate
| Molecular Formula | C15H12N2O4S2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 0.8821 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.02383 |
| Heavy Atoms | 23 |
| Complexity | 1122.6836 |
Chemical Identifiers
| CAS Number | 501112-76-1 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)N2C(=O)C3=C(N=C2S1)SC4=C3CCCC4 |
Product Overview
(E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate (CAS 501112-76-1), with molecular formula C15H12N2O4S2 and molecular weight 348.02 g/mol. IUPAC: methyl (2E)-2-(14,16-dioxo-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-13-ylidene)acetate.
Chemical Property Profile of (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate
Property Insights of (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate
The XLogP value of 0.8821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate has 0 hydrogen bond donor(s) and 7 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 (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
The CAS number of (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate is 501112-76-1.
What is the molecular formula of (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
The molecular formula of (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate is C15H12N2O4S2.
What is the molecular weight of (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
The molecular weight of (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate is 348.02 g/mol.
Where can I buy (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
You can request a quote for (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(3,5-dioxo-3,5,6,7,8,9-hexahydro-2H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.