EINECS 268-813-5
TL;DR: EINECS 268-813-5 (CAS 68140-63-6) is a chemical compound with molecular formula C58H107N3O7S and molecular weight 989.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-aminoethyl)ethane-1,2-diamine;2-dodecylbenzenesulfonic acid;bis((9Z,12Z)-octadeca-9,12-dienoic acid)
Also Known As: EINECS 268-813-5, (C18H32O2)2.xC18H30O3S.xC4H13N3, Diethylenetriamine, dodecylbenzene sulfonic acid, dimeric linoleic acid salts, 9,12-Octadecadienoic acid (9Z,12Z)-, dimer, compd. with N-(2-aminoethyl)-1,2-ethanediamine dodecylbenzenesulfonate, (C18-H32-O2)2.x-C18-H30-O3-S.x-C4-H13-N3
| Molecular Formula | C58H107N3O7S |
|---|---|
| Molecular Weight | 989.78 g/mol |
| LogP | 15.6591 |
| Topological Polar Surface Area | 193.04 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 44 |
| Exact Mass | 989.78296 |
| Heavy Atoms | 69 |
| Complexity | 1402.5586 |
Chemical Identifiers
| CAS Number | 68140-63-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CNCCN |
Product Overview
EINECS 268-813-5 (CAS 68140-63-6), with molecular formula C58H107N3O7S and molecular weight 989.78 g/mol. IUPAC: N'-(2-aminoethyl)ethane-1,2-diamine;2-dodecylbenzenesulfonic acid;bis((9Z,12Z)-octadeca-9,12-dienoic acid).
Chemical Property Profile of EINECS 268-813-5
Property Insights of EINECS 268-813-5
The XLogP value of 15.6591 indicates that EINECS 268-813-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.04 Ų indicates high polarity, suggesting EINECS 268-813-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 268-813-5 has 6 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 EINECS 268-813-5?
The CAS number of EINECS 268-813-5 is 68140-63-6.
What is the molecular formula of EINECS 268-813-5?
The molecular formula of EINECS 268-813-5 is C58H107N3O7S.
What is the molecular weight of EINECS 268-813-5?
The molecular weight of EINECS 268-813-5 is 989.78 g/mol.
Where can I buy EINECS 268-813-5?
You can request a quote for EINECS 268-813-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-813-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-813-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.