3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane
TL;DR: 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane (CAS 106679-03-2) is a chemical compound with molecular formula C32H58N2O6S and molecular weight 598.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[[(4R)-4-[(5S,7R,10S,12S,13R,17S)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl-dimethylazaniumyl]propane-1-sulfonate
Also Known As: Dchaps, Dchaps sulfonate, 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane, 3-(((5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxocholan-24-yl)amino)-N,N-dimethyl-N-(3-sulfopropyl)-1-propanaminium hydroxide, inner salt, 1-Propanaminium, 3-(((5beta,7alpha,12alpha)-7,12-dihydroxy-24-oxocholan-24-yl)amino)-N,N-dimethyl-N-(3-sulfopropyl)-, hydroxide, inner salt
| Molecular Formula | C32H58N2O6S |
|---|---|
| Molecular Weight | 598.40 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.40155 |
| Heavy Atoms | 41 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 106679-03-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C |
| InChIKey | ZQDSFVARABYERY-HJSAWXBPSA-N |
Product Overview
3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane (CAS 106679-03-2), with molecular formula C32H58N2O6S and molecular weight 598.40 g/mol. IUPAC: 3-[3-[[(4R)-4-[(5S,7R,10S,12S,13R,17S)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl-dimethylazaniumyl]propane-1-sulfonate.
Chemical Property Profile of 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane
Property Insights of 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane
The XLogP value of 4.6 indicates that 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane. Following Lipinski's Rule of Five, 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane has 3 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 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane?
The CAS number of 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane is 106679-03-2.
What is the molecular formula of 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane?
The molecular formula of 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane is C32H58N2O6S.
What is the molecular weight of 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane?
The molecular weight of 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane is 598.40 g/mol.
Where can I buy 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane?
You can request a quote for 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Deoxycholamidopropyl)dimethylammonio)-1-propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.