![ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate structure](/static/products/6478/647819-61-2.webp)
ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate
TL;DR: ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate (CAS 647819-61-2) is a chemical compound with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(16-oxo-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-13-yl)methylamino]benzoate
Also Known As: ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate, ethyl 4-{[(5-oxo-4,6,7,8,9-pentahydrobenzo[b]thiopheno[2,3-d]1,3-thiazolino[3, 2-a]pyrimidin-2-yl)methyl]amino}benzoate, ethyl 4-{[(5-oxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidin-2-yl)methyl]amino}benzoate
| Molecular Formula | C22H21N3O3S2 |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 4.6383 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.10245 |
| Heavy Atoms | 30 |
| Complexity | 1301.4022 |
Chemical Identifiers
| CAS Number | 647819-61-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CN3C(=O)C4=C(N=C3S2)SC5=C4CCCC5 |
Product Overview
ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate (CAS 647819-61-2), with molecular formula C22H21N3O3S2 and molecular weight 439.10 g/mol. IUPAC: ethyl 4-[(16-oxo-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-13-yl)methylamino]benzoate.
Chemical Property Profile of ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate
Property Insights of ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate
The XLogP value of 4.6383 indicates that ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate has 1 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 ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate?
The CAS number of ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate is 647819-61-2.
What is the molecular formula of ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate?
The molecular formula of ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate is C22H21N3O3S2.
What is the molecular weight of ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate?
The molecular weight of ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate is 439.10 g/mol.
Where can I buy ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate?
You can request a quote for ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(((5-oxo-6,7,8,9-tetrahydro-5H-benzo[4,5]thieno[2,3-d]thiazolo[3,2-a]pyrimidin-2-yl)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.