3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
TL;DR: 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate (CAS 75621-03-3) is a chemical compound with molecular formula C32H58N2O7S and molecular weight 614.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]azaniumyl]propane-1-sulfonate
Also Known As: CHAPS, chaps detergent, CHAPS solution, CHAPS?, Cholic Acid Impurity 19
| Molecular Formula | C32H58N2O7S |
|---|---|
| Molecular Weight | 614.40 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 614.3965 |
| Heavy Atoms | 42 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 75621-03-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | UMCMPZBLKLEWAF-BCTGSCMUSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate (CAS 75621-03-3), with molecular formula C32H58N2O7S and molecular weight 614.40 g/mol. IUPAC: 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]azaniumyl]propane-1-sulfonate.
Chemical Property Profile of 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
Property Insights of 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate. The TPSA of 155.0 Ų indicates high polarity, suggesting 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate has 4 hydrogen bond donor(s) and 7 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-Cholamidopropyl)dimethylammonio)-1-propanesulfonate?
The CAS number of 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate is 75621-03-3.
What is the molecular formula of 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate?
The molecular formula of 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate is C32H58N2O7S.
What is the molecular weight of 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate?
The molecular weight of 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate is 614.40 g/mol.
Where can I buy 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate?
You can request a quote for 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.