Beloranib
TL;DR: Beloranib (CAS 609845-93-4) is a chemical compound with molecular formula C29H41NO6 and molecular weight 499.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
Also Known As: Beloranib, Beloranib [INN], beloranibum, Beloranib (>85%), ZGN-440(Beloranib)
| Molecular Formula | C29H41NO6 |
|---|---|
| Molecular Weight | 499.29 g/mol |
| LogP | 4.2598 |
| Topological Polar Surface Area | 73.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 499.2934 |
| Heavy Atoms | 36 |
| Complexity | 962.4814 |
Chemical Identifiers
| CAS Number | 609845-93-4 |
|---|---|
| SMILES | CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC=C(C=C4)OCCN(C)C)OC)C |
Product Overview
Beloranib (CAS 609845-93-4), with molecular formula C29H41NO6 and molecular weight 499.29 g/mol. IUPAC: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate.
Chemical Property Profile of Beloranib
Property Insights of Beloranib
The XLogP value of 4.2598 indicates that Beloranib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Beloranib. Following Lipinski's Rule of Five, Beloranib has 0 hydrogen bond donor(s) and 7 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 Beloranib?
The CAS number of Beloranib is 609845-93-4.
What is the molecular formula of Beloranib?
The molecular formula of Beloranib is C29H41NO6.
What is the molecular weight of Beloranib?
The molecular weight of Beloranib is 499.29 g/mol.
Where can I buy Beloranib?
You can request a quote for Beloranib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beloranib?
Yes, KEHONG BIO provides custom synthesis services for Beloranib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.