![4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate structure](/static/products/7241/7241-02-3.webp)
4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate
TL;DR: 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate (CAS 7241-02-3) is a chemical compound with molecular formula C27H32N2O9S and molecular weight 560.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-O-ethyl 8-O,9-O-dimethyl 7-benzyl-4-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-3-oxo-6-thia-1,4-diazatricyclo[5.3.0.02,5]decane-8,9,10-tricarboxylate
Also Known As: 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate
| Molecular Formula | C27H32N2O9S |
|---|---|
| Molecular Weight | 560.18 g/mol |
| LogP | 1.5017 |
| Topological Polar Surface Area | 128.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.18286 |
| Heavy Atoms | 39 |
| Complexity | 1214.8694 |
Chemical Identifiers
| CAS Number | 7241-02-3 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C2(N1C3C(S2)N(C3=O)C(=C(C)C)C(=O)OC)CC4=CC=CC=C4)C(=O)OC)C(=O)OC |
Product Overview
4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate (CAS 7241-02-3), with molecular formula C27H32N2O9S and molecular weight 560.18 g/mol. IUPAC: 10-O-ethyl 8-O,9-O-dimethyl 7-benzyl-4-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-3-oxo-6-thia-1,4-diazatricyclo[5.3.0.02,5]decane-8,9,10-tricarboxylate.
Chemical Property Profile of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate
Property Insights of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate
The XLogP value of 1.5017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate. The TPSA of 128.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate. Following Lipinski's Rule of Five, 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate?
The CAS number of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate is 7241-02-3.
What is the molecular formula of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate?
The molecular formula of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate is C27H32N2O9S.
What is the molecular weight of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate?
The molecular weight of 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate is 560.18 g/mol.
Where can I buy 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate?
You can request a quote for 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl 5,6-dimethyl 6a-benzyl-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-2-oxooctahydroazeto[3,2-d]pyrrolo[2,1-b][1,3]thiazole-4,5,6-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.