![1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone structure](/static/products/543/543693-98-7.png)
1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone
TL;DR: 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone (CAS 543693-98-7) is a chemical compound with molecular formula C21H19N3O2S2 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-acetyl-8-methyl-4,9-diphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-dien-7-yl)ethanone
Also Known As: 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone, 3,7-diacetyl-8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene, 1-(8-acetyl-2-methyl-1,6-diphenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-dien-3-yl)ethanone, 1-{3-ACETYL-8-METHYL-1,9-DIPHENYL-4,6-DITHIA-1,2,9-TRIAZASPIRO[4.4]NONA-2,7-DIEN-7-YL}ETHAN-1-ONE
| Molecular Formula | C21H19N3O2S2 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 4.8275 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.09186 |
| Heavy Atoms | 28 |
| Complexity | 1004.82544 |
Chemical Identifiers
| CAS Number | 543693-98-7 |
|---|---|
| SMILES | CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)C)C4=CC=CC=C4)C(=O)C |
Product Overview
1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone (CAS 543693-98-7), with molecular formula C21H19N3O2S2 and molecular weight 409.09 g/mol. IUPAC: 1-(2-acetyl-8-methyl-4,9-diphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-dien-7-yl)ethanone.
Chemical Property Profile of 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone
Property Insights of 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone
The XLogP value of 4.8275 indicates that 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.98 Ų, 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone has 0 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 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
The CAS number of 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is 543693-98-7.
What is the molecular formula of 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
The molecular formula of 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is C21H19N3O2S2.
What is the molecular weight of 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
The molecular weight of 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone is 409.09 g/mol.
Where can I buy 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
You can request a quote for 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(8-methyl-1,9-diphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.