![Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate structure](/static/products/903/90361-64-1.png)
Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate
TL;DR: Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate (CAS 90361-64-1) is a chemical compound with molecular formula C15H21NO4S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(1S,7S,9R)-3-ethoxy-4,9-dimethyl-11-oxa-2-thia-5-azatricyclo[5.3.1.01,5]undec-3-en-6-ylidene]acetate
Also Known As: Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate, methyl (2E)-2-[(1S,7S,9R)-3-ethoxy-4,9-dimethyl-11-oxa-2-thia-5-azatricyclo[5.3.1.01,5]undec-3-en-6-ylidene]acetate
| Molecular Formula | C15H21NO4S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.8001 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.11914 |
| Heavy Atoms | 21 |
| Complexity | 529.76666 |
Chemical Identifiers
| CAS Number | 90361-64-1 |
|---|---|
| SMILES | CCOC1=C(N2/C(=C/C(=O)OC)/[C@@H]3C[C@H](C[C@]2(O3)S1)C)C |
Product Overview
Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate (CAS 90361-64-1), with molecular formula C15H21NO4S and molecular weight 311.12 g/mol. IUPAC: methyl (2E)-2-[(1S,7S,9R)-3-ethoxy-4,9-dimethyl-11-oxa-2-thia-5-azatricyclo[5.3.1.01,5]undec-3-en-6-ylidene]acetate.
Chemical Property Profile of Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate
Property Insights of Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate
The XLogP value of 2.8001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate. With a topological polar surface area (TPSA) of 48.0 Ų, Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate has 0 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 Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate?
The CAS number of Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate is 90361-64-1.
What is the molecular formula of Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate?
The molecular formula of Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate is C15H21NO4S.
What is the molecular weight of Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate?
The molecular weight of Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate is 311.12 g/mol.
Where can I buy Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate?
You can request a quote for Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2E)-[(6S,8R,9aS)-2-ethoxy-3,8-dimethyl-6,7,8,9-tetrahydro-5H-6,9a-epoxy[1,3]thiazolo[3,2-a]azepin-5-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.