JB 69
TL;DR: JB 69 (CAS 1486-53-9) is a chemical compound with molecular formula C36H57N2NaO9P+ and molecular weight 715.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate
Also Known As: JB 69, JB69, 1H-indol-3-ylmethanamine hydrochloride, 3-(7beta-Hydroxycholesteryl) 5'-(2'-deoxyuridylyl)monophosphate, 2,4(1h,3h)-pyrimidinedione, 1-[2-deoxy-5-o-[hydroxy[(7-hydroxycholest-5-en-3-yl)oxy]phosphinyl]pentofuranosyl]-, sodium salt(1:1)
| Molecular Formula | C36H57N2NaO9P+ |
|---|---|
| Molecular Weight | 715.37 g/mol |
| LogP | 2.7034 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 715.36993 |
| Heavy Atoms | 49 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 1486-53-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OP(=O)(O)OCC5C(CC(O5)N6C=CC(=O)NC6=O)O)C)O)C.[Na+] |
| InChIKey | RXBJMCPLNARKGA-UHFFFAOYSA-N |
Product Overview
JB 69 (CAS 1486-53-9), with molecular formula C36H57N2NaO9P+ and molecular weight 715.37 g/mol. IUPAC: sodium [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate.
Chemical Property Profile of JB 69
Property Insights of JB 69
The XLogP value of 2.7034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for JB 69. The TPSA of 155.0 Ų indicates high polarity, suggesting JB 69 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, JB 69 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of JB 69?
The CAS number of JB 69 is 1486-53-9.
What is the molecular formula of JB 69?
The molecular formula of JB 69 is C36H57N2NaO9P+.
What is the molecular weight of JB 69?
The molecular weight of JB 69 is 715.37 g/mol.
Where can I buy JB 69?
You can request a quote for JB 69 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JB 69?
Yes, KEHONG BIO provides custom synthesis services for JB 69 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.