Benzenaminium,N,N,N-trimethyl-,acetate
TL;DR: Benzenaminium,N,N,N-trimethyl-,acetate (CAS 173106-27-9) is a chemical compound with molecular formula C39H65NO6 and molecular weight 643.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-1-carboxylic acid
Also Known As: Benzenaminium,N,N,N-trimethyl-,acetate, Betulinic acid, 11-aminoundecanoate deriv., (1R,3As,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-1-carboxylic acid, 29,30-Dinorlupan-20-oic acid, 28-((10-carboxydecyl)amino)-3-hydroxy-28-oxo-, (3beta)-, N-(19-Carboxy-3beta-hydroxy-20,29,30-trinorlupan-28-oyl)-11-aminoundecanoic acid
| Molecular Formula | C39H65NO6 |
|---|---|
| Molecular Weight | 643.48 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 643.4812 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 173106-27-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC4[C@]3(CC[C@@]5([C@@H]4[C@@H](CC5)C(=O)O)C(=O)NCCCCCCCCCCC(=O)O)C)C)(C)C)O |
| InChIKey | PZCVVCQRVOZVAJ-SHBZPGRUSA-N |
Product Overview
Benzenaminium,N,N,N-trimethyl-,acetate (CAS 173106-27-9), with molecular formula C39H65NO6 and molecular weight 643.48 g/mol. IUPAC: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-1-carboxylic acid.
Chemical Property Profile of Benzenaminium,N,N,N-trimethyl-,acetate
Property Insights of Benzenaminium,N,N,N-trimethyl-,acetate
The XLogP value of 9.1 indicates that Benzenaminium,N,N,N-trimethyl-,acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenaminium,N,N,N-trimethyl-,acetate. Following Lipinski's Rule of Five, Benzenaminium,N,N,N-trimethyl-,acetate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenaminium,N,N,N-trimethyl-,acetate?
The CAS number of Benzenaminium,N,N,N-trimethyl-,acetate is 173106-27-9.
What is the molecular formula of Benzenaminium,N,N,N-trimethyl-,acetate?
The molecular formula of Benzenaminium,N,N,N-trimethyl-,acetate is C39H65NO6.
What is the molecular weight of Benzenaminium,N,N,N-trimethyl-,acetate?
The molecular weight of Benzenaminium,N,N,N-trimethyl-,acetate is 643.48 g/mol.
Where can I buy Benzenaminium,N,N,N-trimethyl-,acetate?
You can request a quote for Benzenaminium,N,N,N-trimethyl-,acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenaminium,N,N,N-trimethyl-,acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzenaminium,N,N,N-trimethyl-,acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.