![1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone structure](/static/products/670/670262-89-2.png)
1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone
TL;DR: 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone (CAS 670262-89-2) is a chemical compound with molecular formula C21H18BrN3O2S2 and molecular weight 487.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-acetyl-4-(4-bromophenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone
Also Known As: 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone, 1,1'-(1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone, 1-[3-ACETYL-1-(4-BROMOPHENYL)-8-METHYL-9-PHENYL-4,6-DITHIA-1,2,9-TRIAZASPIRO[4.4]NONA-2,7-DIEN-7-YL]ETHAN-1-ONE, 1-[8-acetyl-6-(4-bromophenyl)-2-methyl-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-dien-3-yl]ethanone, 2,7-diacetyl-9-(4-bromophenyl)-3-methyl-4-phenyl-1,6-dithia-4,8,9-triazaspiro[ 4.4]nona-2,7-diene
| Molecular Formula | C21H18BrN3O2S2 |
|---|---|
| Molecular Weight | 487.00 g/mol |
| LogP | 5.59 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.00238 |
| Heavy Atoms | 29 |
| Complexity | 1053.3557 |
Chemical Identifiers
| CAS Number | 670262-89-2 |
|---|---|
| SMILES | CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)C)C4=CC=C(C=C4)Br)C(=O)C |
Product Overview
1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone (CAS 670262-89-2), with molecular formula C21H18BrN3O2S2 and molecular weight 487.00 g/mol. IUPAC: 1-[2-acetyl-4-(4-bromophenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-dien-7-yl]ethanone.
Chemical Property Profile of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone
Property Insights of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone
The XLogP value of 5.59 indicates that 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-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'-[1-(4-bromophenyl)-8-methyl-9-phenyl-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'-[1-(4-bromophenyl)-8-methyl-9-phenyl-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone?
The CAS number of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone is 670262-89-2.
What is the molecular formula of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone?
The molecular formula of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone is C21H18BrN3O2S2.
What is the molecular weight of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone?
The molecular weight of 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]diethanone is 487.00 g/mol.
Where can I buy 1,1'-[1-(4-bromophenyl)-8-methyl-9-phenyl-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'-[1-(4-bromophenyl)-8-methyl-9-phenyl-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'-[1-(4-bromophenyl)-8-methyl-9-phenyl-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'-[1-(4-bromophenyl)-8-methyl-9-phenyl-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.