EINECS 297-939-3
TL;DR: EINECS 297-939-3 (CAS 93776-13-7) is a chemical compound with molecular formula C21H23F21N2O3 and molecular weight 750.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl)amino]propyl-dimethylazaniumyl]propanoate
Also Known As: EINECS 297-939-3, (2-Carboxylatoethyl)(3-((4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl)amino)propyl)dimethylammonium, (2-Carboxylatoethyl)-3-((perfluorodecyl)-2-hydroxypropyl)aminopropyldimethylammonium, (2-carboxylatoethyl)[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl)amino]propyl]dimethylammonium, 297-939-3
| Molecular Formula | C21H23F21N2O3 |
|---|---|
| Molecular Weight | 750.14 g/mol |
| LogP | 5.2135 |
| Topological Polar Surface Area | 72.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 750.1373 |
| Heavy Atoms | 47 |
| Complexity | 1074.5802 |
Chemical Identifiers
| CAS Number | 93776-13-7 |
|---|---|
| SMILES | C[N+](C)(CCCNCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)CCC(=O)[O-] |
Product Overview
EINECS 297-939-3 (CAS 93776-13-7), with molecular formula C21H23F21N2O3 and molecular weight 750.14 g/mol. IUPAC: 3-[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl)amino]propyl-dimethylazaniumyl]propanoate.
Chemical Property Profile of EINECS 297-939-3
Property Insights of EINECS 297-939-3
The XLogP value of 5.2135 indicates that EINECS 297-939-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.39 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 297-939-3. Following Lipinski's Rule of Five, EINECS 297-939-3 has 2 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 EINECS 297-939-3?
The CAS number of EINECS 297-939-3 is 93776-13-7.
What is the molecular formula of EINECS 297-939-3?
The molecular formula of EINECS 297-939-3 is C21H23F21N2O3.
What is the molecular weight of EINECS 297-939-3?
The molecular weight of EINECS 297-939-3 is 750.14 g/mol.
Where can I buy EINECS 297-939-3?
You can request a quote for EINECS 297-939-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 297-939-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 297-939-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.