RefChem:415504
TL;DR: RefChem:415504 (CAS 75199-22-3) is a chemical compound with molecular formula C33H75N3O10S+2 and molecular weight 705.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-hydroxyethyl)-methylazaniumyl]propyl-[3-[(3-dodecoxy-2-hydroxypropyl)-(2-hydroxyethyl)-methylazaniumyl]propyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate
Also Known As: 1,3-Propanediaminium, N-(3-(bis(2-hydroxyethyl)methylammonio)propyl)-N'-(3-(dodecyloxy)-2-hydroxypropyl)-N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-, tris(methyl sulfate) (salt), 1,13-Dihydroxy-3,7,11-tris(2-hydroxyethyl)-3,7,11-trimethyl-15-oxa-3,7,11-triazoniaheptacosane trisulphate, 1,3-Propanediaminium, N-[3-[bis(2-hydroxyethyl)methylammonio]propyl]-N'-[3-(dodecyloxy)-2-hydroxypropyl]-N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-, tris[methyl sulfate] (salt), 1,3-Propanediaminium, N1-(3-(bis(2-hydroxyethyl)methylammonio)propyl)-N1-(3-(dodecyloxy)-2-hydroxypropyl)-N1,N3-bis(2-hydroxyethyl)-N1,N3-dimethyl-, methyl sulfate (1:3), N-(3-(Dodecyloxy)-2-hydroxypropyl)-N,N'-bis(2-hydroxyethyl)-N'-(3-(bis(2-hydroxyethyl)methylammonio)propyl)-N,N-dimethyl-1,3-propanediaminium tris(methyl sulfate)
| Molecular Formula | C33H75N3O10S+2 |
|---|---|
| Molecular Weight | 705.52 g/mol |
| LogP | 1.467 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 31 |
| Exact Mass | 705.51733 |
| Heavy Atoms | 47 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 75199-22-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOCC(C[N+](C)(CCC[N+](C)(CCC[N+](C)(CCO)CCO)CCO)CCO)O.COS(=O)(=O)[O-] |
| InChIKey | ZEXQKLWBFQMOBY-UHFFFAOYSA-M |
Product Overview
RefChem:415504 (CAS 75199-22-3), with molecular formula C33H75N3O10S+2 and molecular weight 705.52 g/mol. IUPAC: 3-[bis(2-hydroxyethyl)-methylazaniumyl]propyl-[3-[(3-dodecoxy-2-hydroxypropyl)-(2-hydroxyethyl)-methylazaniumyl]propyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate.
Chemical Property Profile of RefChem:415504
Property Insights of RefChem:415504
The XLogP value of 1.467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:415504. The TPSA of 185.0 Ų indicates high polarity, suggesting RefChem:415504 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:415504 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:415504?
The CAS number of RefChem:415504 is 75199-22-3.
What is the molecular formula of RefChem:415504?
The molecular formula of RefChem:415504 is C33H75N3O10S+2.
What is the molecular weight of RefChem:415504?
The molecular weight of RefChem:415504 is 705.52 g/mol.
Where can I buy RefChem:415504?
You can request a quote for RefChem:415504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:415504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:415504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.