J1.647.950K
TL;DR: J1.647.950K (CAS 99508-95-9) is a chemical compound with molecular formula C12H15N5O6 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydro-5H-imidazo[1,2-a]purin-9-one
Also Known As: J1.647.950K, 9H-Imidazo(1,2-a)purin-9-one, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,4,6,7-tetrahydro-6,7-dihydroxy-, 3-(2-Deoxypentofuranosyl)-6,7-dihydroxy-3,5,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one, 3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6,7-dihydro-6,7-dihydroxy-3H-imidazo[1,2-a]purine-9(5H)-one, 3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6,7-dihydroxy-3,5,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one
| Molecular Formula | C12H15N5O6 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.10223 |
| Heavy Atoms | 23 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 99508-95-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C4NC(C(N4C3=O)O)O)CO)O |
| InChIKey | JHERHCNYUORGNY-KYEUBIKSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J1.647.950K (CAS 99508-95-9), with molecular formula C12H15N5O6 and molecular weight 325.10 g/mol. IUPAC: 6,7-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydro-5H-imidazo[1,2-a]purin-9-one.
Chemical Property Profile of J1.647.950K
Property Insights of J1.647.950K
The XLogP value of -2.4 indicates that J1.647.950K is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting J1.647.950K may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.647.950K has 5 hydrogen bond donor(s) and 8 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 J1.647.950K?
The CAS number of J1.647.950K is 99508-95-9.
What is the molecular formula of J1.647.950K?
The molecular formula of J1.647.950K is C12H15N5O6.
What is the molecular weight of J1.647.950K?
The molecular weight of J1.647.950K is 325.10 g/mol.
Where can I buy J1.647.950K?
You can request a quote for J1.647.950K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.647.950K?
Yes, KEHONG BIO provides custom synthesis services for J1.647.950K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.