RefChem:117771
TL;DR: RefChem:117771 (CAS 61136-17-2) is a chemical compound with molecular formula C46H60N12O14S2 and molecular weight 1068.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid;bis(2-[bis(2-hydroxyethyl)amino]ethanol)
Also Known As: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-methoxy-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2), 4,4'-Bis(4-methoxy-6-anilino-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid, ditriethanolamine salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-methoxy-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:2), 2,2'-ethene-1,2-diylbis(5-{[4-methoxy-6-(phenylamino)-1,3,5-triazin-2-yl]amino}benzenesulfonic acid)- 2,2',2''-nitrilotriethanol(1:2), 4,4'-Bis((6-anilino-4-methoxy-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:2)
| Molecular Formula | C46H60N12O14S2 |
|---|---|
| Molecular Weight | 1068.38 g/mol |
| LogP | 2.24 |
| Topological Polar Surface Area | 397.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Exact Mass | 1068.3794 |
| Heavy Atoms | 74 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 61136-17-2 |
|---|---|
| SMILES | COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=CC=C6.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO |
| InChIKey | AKMBPNNDTFZSLX-UHFFFAOYSA-N |
Product Overview
RefChem:117771 (CAS 61136-17-2), with molecular formula C46H60N12O14S2 and molecular weight 1068.38 g/mol. IUPAC: 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid;bis(2-[bis(2-hydroxyethyl)amino]ethanol).
Chemical Property Profile of RefChem:117771
Property Insights of RefChem:117771
The XLogP value of 2.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117771. The TPSA of 397.0 Ų indicates high polarity, suggesting RefChem:117771 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117771 has 12 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117771?
The CAS number of RefChem:117771 is 61136-17-2.
What is the molecular formula of RefChem:117771?
The molecular formula of RefChem:117771 is C46H60N12O14S2.
What is the molecular weight of RefChem:117771?
The molecular weight of RefChem:117771 is 1068.38 g/mol.
Where can I buy RefChem:117771?
You can request a quote for RefChem:117771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117771?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.