![4,5-dihydro-[2,2']bi[1,3]dithiolylidene structure](/static/products/2709/27092-50-8.webp)
4,5-dihydro-[2,2']bi[1,3]dithiolylidene
TL;DR: 4,5-dihydro-[2,2']bi[1,3]dithiolylidene (CAS 27092-50-8) is a chemical compound with molecular formula C48H45N9O9S2 and molecular weight 955.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[4-[[4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]phenyl]carbamoyl]phenyl]-4-N-(1-methylpyridin-1-ium-3-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
Also Known As: 4,5-dihydro-[2,2']bi[1,3]dithiolylidene, Pyridinium, 3-(p-(p-((p-(3-(p-amidinophenyl)2-triazeno)phenyl)carbamoyl)benzamido)benzamido)-1-methyl-, p-toluenesulfonate, mono-p-toluenesulfonate, 3-[(4-{[4-({4-[(2e)-3-(4-carbamimidoylphenyl)triaz-2-en-1-yl]phenyl}carbamoyl)phenyl]carbamoyl}benzoyl)amino]-1-methylpyridinium 4-methylbenzenesulfonate 4-methylbenzenesulfonic acid(1:1:1), 1-N-[4-[[4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]phenyl]carbamoyl]phenyl]-4-N-(1-methylpyridin-1-ium-3-yl)benzene-1,4-dicarboxamide,4-methylbenzenesulfonate,4-methylbenzenesulfonic acid, 1-N-[4-[[4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]phenyl]carbamoyl]phenyl]-4-N-(1-methylpyridin-1-ium-3-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid
| Molecular Formula | C48H45N9O9S2 |
|---|---|
| Molecular Weight | 955.28 g/mol |
| LogP | 7.80371 |
| Topological Polar Surface Area | 306.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 955.27814 |
| Heavy Atoms | 68 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 27092-50-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NN=NC5=CC=C(C=C5)C(=N)N |
| InChIKey | LFMRLNZJDMVMAK-UHFFFAOYSA-N |
Product Overview
4,5-dihydro-[2,2']bi[1,3]dithiolylidene (CAS 27092-50-8), with molecular formula C48H45N9O9S2 and molecular weight 955.28 g/mol. IUPAC: 1-N-[4-[[4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]phenyl]carbamoyl]phenyl]-4-N-(1-methylpyridin-1-ium-3-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid.
Chemical Property Profile of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene
Property Insights of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene
The XLogP value of 7.80371 indicates that 4,5-dihydro-[2,2']bi[1,3]dithiolylidene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 306.0 Ų indicates high polarity, suggesting 4,5-dihydro-[2,2']bi[1,3]dithiolylidene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-dihydro-[2,2']bi[1,3]dithiolylidene has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene?
The CAS number of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene is 27092-50-8.
What is the molecular formula of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene?
The molecular formula of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene is C48H45N9O9S2.
What is the molecular weight of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene?
The molecular weight of 4,5-dihydro-[2,2']bi[1,3]dithiolylidene is 955.28 g/mol.
Where can I buy 4,5-dihydro-[2,2']bi[1,3]dithiolylidene?
You can request a quote for 4,5-dihydro-[2,2']bi[1,3]dithiolylidene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dihydro-[2,2']bi[1,3]dithiolylidene?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dihydro-[2,2']bi[1,3]dithiolylidene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.