EINECS 302-731-3
TL;DR: EINECS 302-731-3 (CAS 94133-69-4) is a chemical compound with molecular formula C26H30Cl2F3NO2 and molecular weight 515.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dibutylamino)-3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propane-1,3-diol
Also Known As: EINECS 302-731-3, 1-(DIBUTYLAMINO)-3-[1,3-DICHLORO-6-(TRIFLUOROMETHYL)-9-PHENANTHRYL]PROPANE-1,3-DIOL, 1-(dibutylamino)-3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propane-1,3-diol, 1-(Dibutylamino)-3-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propane-1,3-diol, 1-(Dibutylamino)-3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-1,3-propanediol
| Molecular Formula | C26H30Cl2F3NO2 |
|---|---|
| Molecular Weight | 515.16 g/mol |
| LogP | 7.9627 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.1606 |
| Heavy Atoms | 34 |
| Complexity | 1128.66 |
Chemical Identifiers
| CAS Number | 94133-69-4 |
|---|---|
| SMILES | CCCCN(CCCC)C(CC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O)O |
Product Overview
EINECS 302-731-3 (CAS 94133-69-4), with molecular formula C26H30Cl2F3NO2 and molecular weight 515.16 g/mol. IUPAC: 1-(dibutylamino)-3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propane-1,3-diol.
Chemical Property Profile of EINECS 302-731-3
Property Insights of EINECS 302-731-3
The XLogP value of 7.9627 indicates that EINECS 302-731-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, EINECS 302-731-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 302-731-3 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 302-731-3?
The CAS number of EINECS 302-731-3 is 94133-69-4.
What is the molecular formula of EINECS 302-731-3?
The molecular formula of EINECS 302-731-3 is C26H30Cl2F3NO2.
What is the molecular weight of EINECS 302-731-3?
The molecular weight of EINECS 302-731-3 is 515.16 g/mol.
Where can I buy EINECS 302-731-3?
You can request a quote for EINECS 302-731-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 302-731-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 302-731-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.