EINECS 236-353-4
TL;DR: EINECS 236-353-4 (CAS 13320-31-5) is a chemical compound with molecular formula C31H42N2O6 and molecular weight 538.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[4-[2-[3-(aziridin-1-yl)butanoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 3-(aziridin-1-yl)butanoate
Also Known As: propane-2,2-diylbis(benzene-4,1-diyloxyethane-2,1-diyl) bis[3-(aziridin-1-yl)butanoate], bis(2-ethylhexyl) 3-hydroxypropyl phosphate, 2-[4-[2-[4-[2-[3-(aziridin-1-yl)butanoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 3-(aziridin-1-yl)butanoate, (Isopropylidene)bis(p-phenyleneoxyethylene) bis(beta-methylaziridine-1-propionate), {(Propane-2,2-diyl)bis[(4,1-phenylene)oxy]ethane-2,1-diyl} bis[3-(aziridin-1-yl)butanoate]
| Molecular Formula | C31H42N2O6 |
|---|---|
| Molecular Weight | 538.30 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 538.30426 |
| Heavy Atoms | 39 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 13320-31-5 |
|---|---|
| SMILES | CC(CC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)CC(C)N3CC3)N4CC4 |
| InChIKey | JEBTVWVLWHTMOZ-UHFFFAOYSA-N |
Product Overview
EINECS 236-353-4 (CAS 13320-31-5), with molecular formula C31H42N2O6 and molecular weight 538.30 g/mol. IUPAC: 2-[4-[2-[4-[2-[3-(aziridin-1-yl)butanoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 3-(aziridin-1-yl)butanoate.
Chemical Property Profile of EINECS 236-353-4
Property Insights of EINECS 236-353-4
The XLogP value of 4.8 indicates that EINECS 236-353-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 236-353-4. Following Lipinski's Rule of Five, EINECS 236-353-4 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 236-353-4?
The CAS number of EINECS 236-353-4 is 13320-31-5.
What is the molecular formula of EINECS 236-353-4?
The molecular formula of EINECS 236-353-4 is C31H42N2O6.
What is the molecular weight of EINECS 236-353-4?
The molecular weight of EINECS 236-353-4 is 538.30 g/mol.
Where can I buy EINECS 236-353-4?
You can request a quote for EINECS 236-353-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 236-353-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 236-353-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.