![1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene structure](/static/products/680/680213-28-9.png)
1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene
TL;DR: 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene (CAS 680213-28-9) is a chemical compound with molecular formula C17H13BrCl2N2OS2 and molecular weight 473.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-(4-bromophenyl)-3-oxoprop-1-enyl]sulfanyl-(5,5-dichloro-2-methylpenta-2,4-dienyl)sulfanylmethylidene]cyanamide
Also Known As: 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene, [[3-(4-bromophenyl)-3-oxoprop-1-enyl]sulfanyl-(5,5-dichloro-2-methylpenta-2,4-dienyl)sulfanylmethylidene]cyanamide
| Molecular Formula | C17H13BrCl2N2OS2 |
|---|---|
| Molecular Weight | 473.90 g/mol |
| LogP | 6.71428 |
| Topological Polar Surface Area | 53.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.90298 |
| Heavy Atoms | 25 |
| Complexity | 761.84766 |
Chemical Identifiers
| CAS Number | 680213-28-9 |
|---|---|
| SMILES | CC(=CC=C(Cl)Cl)CSC(=NC#N)SC=CC(=O)C1=CC=C(C=C1)Br |
Product Overview
1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene (CAS 680213-28-9), with molecular formula C17H13BrCl2N2OS2 and molecular weight 473.90 g/mol. IUPAC: [[3-(4-bromophenyl)-3-oxoprop-1-enyl]sulfanyl-(5,5-dichloro-2-methylpenta-2,4-dienyl)sulfanylmethylidene]cyanamide.
Chemical Property Profile of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene
Property Insights of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene
The XLogP value of 6.71428 indicates that 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.22 Ų, 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene?
The CAS number of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene is 680213-28-9.
What is the molecular formula of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene?
The molecular formula of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene is C17H13BrCl2N2OS2.
What is the molecular weight of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene?
The molecular weight of 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene is 473.90 g/mol.
Where can I buy 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene?
You can request a quote for 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-bromo-4-[3-({(cyanoimino)[(5,5-dichloro-2-methylpenta-2,4-dienyl)thio]methyl}thio)allanoyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.