![Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate structure](/static/products/6989/69891-55-0.webp)
Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
TL;DR: Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate (CAS 69891-55-0) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
Also Known As: N-DIETHOXYPHOSPHORYL-2,3-DIMETHYL-ANILINE, Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate, Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo(3.2.1)oct-3-ene-4,7-dicarboxylate, dimethyl 3,5,7-trimethyl-8-thia-4-azabicyclo[3.2.1]oct-2-ene-2,6-dicarboxylate
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 69891-55-0 |
|---|---|
| SMILES | CC1C2C(=C(NC(C1C(=O)OC)(S2)C)C)C(=O)OC |
| InChIKey | PFGPLHOPUCWBCK-UHFFFAOYSA-N |
Product Overview
Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate (CAS 69891-55-0), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate.
Chemical Property Profile of Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
Property Insights of Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate 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 Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate?
The CAS number of Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate is 69891-55-0.
What is the molecular formula of Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate?
The molecular formula of Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate is C13H19NO4S.
What is the molecular weight of Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate?
The molecular weight of Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate is 285.10 g/mol.
Where can I buy Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate?
You can request a quote for Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,3,6-trimethyl-8-thia-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.