1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene
TL;DR: 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene (CAS 117707-49-0) is a chemical compound with molecular formula C24H32Cl4N6O12S2 and molecular weight 800.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-[[(2S,3E,5E,7S)-7-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,8-bis(carboxymethylamino)-3,4,5,6-tetrachloro-1,8-dioxo-2,7-bis(sulfanylmethyl)octa-3,5-dien-2-yl]amino]-5-oxopentanoic acid
Also Known As: BCTB, BGTCB, 8-Hydroxy-1-nitrobenzo(e)pyrene, 1,4-(Bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene, 1,4-Bis(glutathion-S-yl)-1,2,3,4-tetrachlorobuta-1,3-diene
| Molecular Formula | C24H32Cl4N6O12S2 |
|---|---|
| Molecular Weight | 800.03 g/mol |
| LogP | -1.2798 |
| Topological Polar Surface Area | 317.64 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 800.02734 |
| Heavy Atoms | 48 |
| Complexity | 1270.281 |
Chemical Identifiers
| CAS Number | 117707-49-0 |
|---|---|
| SMILES | C([C@H](N)C(=O)O)CC(=O)N[C@](C(=O)NCC(=O)O)(/C(=C(\Cl)/C(=C(\Cl)/[C@](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CS)/Cl)/Cl)CS |
Product Overview
1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene (CAS 117707-49-0), with molecular formula C24H32Cl4N6O12S2 and molecular weight 800.03 g/mol. IUPAC: (2S)-2-amino-5-[[(2S,3E,5E,7S)-7-[[(4S)-4-amino-4-carboxybutanoyl]amino]-1,8-bis(carboxymethylamino)-3,4,5,6-tetrachloro-1,8-dioxo-2,7-bis(sulfanylmethyl)octa-3,5-dien-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene
Property Insights of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene
The XLogP value of -1.2798 indicates that 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.64 Ų indicates high polarity, suggesting 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene has 12 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene?
The CAS number of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene is 117707-49-0.
What is the molecular formula of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene?
The molecular formula of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene is C24H32Cl4N6O12S2.
What is the molecular weight of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene?
The molecular weight of 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene is 800.03 g/mol.
Where can I buy 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene?
You can request a quote for 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-(bis-glutathion-S-yl)-1,2,3,4-tetrachloro-1,3-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.