Benzenaminium,N,N,N-trimethyl-,acetate
TL;DR: Benzenaminium,N,N,N-trimethyl-,acetate (CAS 173106-54-2) is a chemical compound with molecular formula C41H71NO3 and molecular weight 625.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methylamino]undecanoic acid
Also Known As: Benzenaminium,N,N,N-trimethyl-,acetate, Betulinic acid, 11-aminoundecanoate deriv., 11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methylamino]undecanoic acid, 11-(((3beta-Hydroxylup-20(29)-en-28-oyl)methyl)amino)aminoundecanoic acid, 11-[[3beta-Hydroxylup-20(29)-en-28-yl]amino]undecanoic acid
| Molecular Formula | C41H71NO3 |
|---|---|
| Molecular Weight | 625.54 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 625.5434 |
| Heavy Atoms | 45 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 173106-54-2 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CNCCCCCCCCCCC(=O)O |
| InChIKey | LHUVKQWBZICRFR-LCLRTRGPSA-N |
Product Overview
Benzenaminium,N,N,N-trimethyl-,acetate (CAS 173106-54-2), with molecular formula C41H71NO3 and molecular weight 625.54 g/mol. IUPAC: 11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methylamino]undecanoic acid.
Chemical Property Profile of Benzenaminium,N,N,N-trimethyl-,acetate
Property Insights of Benzenaminium,N,N,N-trimethyl-,acetate
The XLogP value of 9.5 indicates that Benzenaminium,N,N,N-trimethyl-,acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 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 3 hydrogen bond donor(s) and 4 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 173106-54-2.
What is the molecular formula of Benzenaminium,N,N,N-trimethyl-,acetate?
The molecular formula of Benzenaminium,N,N,N-trimethyl-,acetate is C41H71NO3.
What is the molecular weight of Benzenaminium,N,N,N-trimethyl-,acetate?
The molecular weight of Benzenaminium,N,N,N-trimethyl-,acetate is 625.54 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.