J1.806.395F
TL;DR: J1.806.395F (CAS 313348-20-8) is a chemical compound with molecular formula C19H18ClN7O4 and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-amino-2-[4-(4-chlorophenyl)pyrazol-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: J1.806.395F, 2-[4-(4-Chlorophenyl)-1H-pyrazol-1-yl]adenosine, 2-[4-(4-Chlorophenyl)-1H-pyrazole-1-yl]adenosine, 2-[4-(4-Chlorophenyl)-1H-pyrazol-1-yl]-Adenosine, Adenosine, 2-[4-(4-chlorophenyl)-1H-pyrazol-1-yl]-
| Molecular Formula | C19H18ClN7O4 |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 0.5261 |
| Topological Polar Surface Area | 157.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.11087 |
| Heavy Atoms | 31 |
| Complexity | 1242.0239 |
Chemical Identifiers
| CAS Number | 313348-20-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN(N=C2)C3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N)Cl |
Product Overview
J1.806.395F (CAS 313348-20-8), with molecular formula C19H18ClN7O4 and molecular weight 443.11 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-amino-2-[4-(4-chlorophenyl)pyrazol-1-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of J1.806.395F
Property Insights of J1.806.395F
The XLogP value of 0.5261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.806.395F. The TPSA of 157.36 Ų indicates high polarity, suggesting J1.806.395F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.806.395F has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.806.395F?
The CAS number of J1.806.395F is 313348-20-8.
What is the molecular formula of J1.806.395F?
The molecular formula of J1.806.395F is C19H18ClN7O4.
What is the molecular weight of J1.806.395F?
The molecular weight of J1.806.395F is 443.11 g/mol.
Where can I buy J1.806.395F?
You can request a quote for J1.806.395F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.806.395F?
Yes, KEHONG BIO provides custom synthesis services for J1.806.395F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.