Rubijervine acetate
TL;DR: Rubijervine acetate (CAS 72361-01-4) is a chemical compound with molecular formula C29H47NO4 and molecular weight 473.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;(1S,2R,7S,10R,11S,13S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol
Also Known As: Rubijervine acetate, Solanid-5-ene-3-beta,12-alpha-diol, acetate, Acetic acid--solanid-5-ene-3,12-diol (1/1), Acetic acid--solanid-5-ene-3beta,12alpha-diol (1/1), Solanid-5-ene-3,12-diol, (3.beta.,12.alpha.)-, acetate (salt)
| Molecular Formula | C29H47NO4 |
|---|---|
| Molecular Weight | 473.35 g/mol |
| LogP | 4.7167 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 473.3505 |
| Heavy Atoms | 34 |
| Complexity | 837.98724 |
Chemical Identifiers
| CAS Number | 72361-01-4 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)O)C)C.CC(=O)O |
Product Overview
Rubijervine acetate (CAS 72361-01-4), with molecular formula C29H47NO4 and molecular weight 473.35 g/mol. IUPAC: acetic acid;(1S,2R,7S,10R,11S,13S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol.
Chemical Property Profile of Rubijervine acetate
Property Insights of Rubijervine acetate
The XLogP value of 4.7167 indicates that Rubijervine acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rubijervine acetate. Following Lipinski's Rule of Five, Rubijervine acetate has 3 hydrogen bond donor(s) and 4 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 Rubijervine acetate?
The CAS number of Rubijervine acetate is 72361-01-4.
What is the molecular formula of Rubijervine acetate?
The molecular formula of Rubijervine acetate is C29H47NO4.
What is the molecular weight of Rubijervine acetate?
The molecular weight of Rubijervine acetate is 473.35 g/mol.
Where can I buy Rubijervine acetate?
You can request a quote for Rubijervine acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubijervine acetate?
Yes, KEHONG BIO provides custom synthesis services for Rubijervine acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.