J1.121.942J
TL;DR: J1.121.942J (CAS 130195-43-6) is a chemical compound with molecular formula C28H27N5O6 and molecular weight 529.1961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol
Also Known As: J1.121.942J, Adenosine, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxybenz(a)anthracen-1-yl)-, (1R-(1alpha,2beta,3beta,4alpha))-, (1R,2S,3R,4S)-1-({9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol, (1R,2S,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol, N-[(1R,2S,3R,4S)-1,2,3,4-Tetrahydro-2,3,4-trihydroxybenzo[a]anthracene-1-yl]-2 -deoxyadenosine
Technical Specifications
| Molecular Formula | C28H27N5O6 |
| Molecular Weight | 529.1961 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1961 Da |
| Heavy Atoms | 39 |
| Complexity | 872.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N[C@H]4[C@@H]([C@@H]([C@H](C5=C4C6=CC7=CC=CC=C7C=C6C=C5)O)O)O)CO)O |
| InChIKey | FPWMJTSJTLVDAW-FZTMMKIESA-N |
Chemical Property Profile of J1.121.942J
Property Insights of J1.121.942J
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.121.942J. The TPSA of 166.0 Ų indicates high polarity, suggesting J1.121.942J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.121.942J has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of J1.121.942J?
The CAS number of J1.121.942J is 130195-43-6.
What is the molecular formula of J1.121.942J?
The molecular formula of J1.121.942J is C28H27N5O6.
What is the molecular weight of J1.121.942J?
The molecular weight of J1.121.942J is 529.1961 g/mol.
Where can I buy J1.121.942J?
You can request a quote for J1.121.942J directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J1.121.942J?
Yes, CoreyChem provides custom synthesis services for J1.121.942J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.