![2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one structure](/static/products/4474/447410-08-4.webp)
2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one
TL;DR: 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one (CAS 447410-08-4) is a chemical compound with molecular formula C13H21N3O2S and molecular weight 283.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone
Also Known As: BAS 04850653, US20250368608, Compound TTC-01, 2-(7,9-diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one, 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone, 2-((3a,4,5,6,7,7a-Hexahydro-1H-benzo[d]imidazol-2-yl)thio)-1-morpholinoethanone
| Molecular Formula | C13H21N3O2S |
|---|---|
| Molecular Weight | 283.14 g/mol |
| LogP | 0.8488 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.13544 |
| Heavy Atoms | 19 |
| Complexity | 368.89984 |
Chemical Identifiers
| CAS Number | 447410-08-4 |
|---|---|
| SMILES | C1CCC2C(C1)NC(=N2)SCC(=O)N3CCOCC3 |
Product Overview
2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one (CAS 447410-08-4), with molecular formula C13H21N3O2S and molecular weight 283.14 g/mol. IUPAC: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one
Property Insights of 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one
The XLogP value of 0.8488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one. With a topological polar surface area (TPSA) of 53.93 Ų, 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one has 1 hydrogen bond donor(s) and 5 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 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one?
The CAS number of 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one is 447410-08-4.
What is the molecular formula of 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one?
The molecular formula of 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one is C13H21N3O2S.
What is the molecular weight of 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one?
The molecular weight of 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one is 283.14 g/mol.
Where can I buy 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one?
You can request a quote for 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(7,9-Diazabicyclo[4.3.0]non-7-en-8-ylthio)-1-morpholin-4-ylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.