6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde
TL;DR: 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde (CAS 52484-62-5) is a chemical compound with molecular formula C24H24N6O8S2 and molecular weight 588.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[[2-[9-[(1R)-1-[(2R)-1-hydroxy-3-oxopropan-2-yl]oxy-2-oxoethyl]purin-6-yl]sulfanylacetyl]amino]ethylamino]naphthalene-1-sulfonic acid
Also Known As: Cid 6452651, 5-[2-[[2-[9-[(1R)-1-[(2R)-1-hydroxy-3-oxopropan-2-yl]oxy-2-oxoethyl]purin-6-yl]sulfanylacetyl]amino]ethylamino]naphthalene-1-sulfonic acid, 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde, 1-Naphthalenesulfonic acid, 5-((2-((((9-(1-(1-formyl-2-hydroxyethoxy)-2-oxoethyl)-9H-purin-6-yl)thio)acetyl)amino)ethyl)amino)-, (R-(R*,R*))-, ({9-[(1R)-1-{[(2R)-1-Hydroxy-3-oxopropan-2-yl]oxy}-2-oxoethyl]-9H-purin-6-yl}sulfanyl)-N-{2-[(5-sulfonaphthalen-1-yl)amino]ethyl}ethanimidic acid
| Molecular Formula | C24H24N6O8S2 |
|---|---|
| Molecular Weight | 588.11 g/mol |
| LogP | 0.8205 |
| Topological Polar Surface Area | 202.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 588.1097 |
| Heavy Atoms | 40 |
| Complexity | 1645.2007 |
Chemical Identifiers
| CAS Number | 52484-62-5 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CSC3=NC=NC4=C3N=CN4[C@@H](C=O)O[C@H](CO)C=O |
Product Overview
6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde (CAS 52484-62-5), with molecular formula C24H24N6O8S2 and molecular weight 588.11 g/mol. IUPAC: 5-[2-[[2-[9-[(1R)-1-[(2R)-1-hydroxy-3-oxopropan-2-yl]oxy-2-oxoethyl]purin-6-yl]sulfanylacetyl]amino]ethylamino]naphthalene-1-sulfonic acid.
Chemical Property Profile of 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde
Property Insights of 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde
The XLogP value of 0.8205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde. The TPSA of 202.7 Ų indicates high polarity, suggesting 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde has 4 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 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde?
The CAS number of 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde is 52484-62-5.
What is the molecular formula of 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde?
The molecular formula of 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde is C24H24N6O8S2.
What is the molecular weight of 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde?
The molecular weight of 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde is 588.11 g/mol.
Where can I buy 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde?
You can request a quote for 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-(5-Sulfo-1-naphthylaminoethylamino)-N-acetylthioinosine dicarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.