EINECS 274-837-7
TL;DR: EINECS 274-837-7 (CAS 70750-06-0) is a chemical compound with molecular formula C28H38N4O7 and molecular weight 542.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
Also Known As: Ethanol, 2,2'-oxybis-, reaction products with 1,1'-methylenebis(4-isocyanatocyclohexane) and TDI, Ethanol, 2,2'-oxybis-, reaction products with 1,1'-methylenebis[4-isocyanatocyclohexane] and TDI, 1,3-diisocyanato-2-methylbenzene; 2-(2-hydroxyethoxy)ethanol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
| Molecular Formula | C28H38N4O7 |
|---|---|
| Molecular Weight | 542.27 g/mol |
| LogP | 4.08292 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.27405 |
| Heavy Atoms | 39 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 70750-06-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(COCCO)O |
| InChIKey | UFHMJXAAVIIKLE-UHFFFAOYSA-N |
Product Overview
EINECS 274-837-7 (CAS 70750-06-0), with molecular formula C28H38N4O7 and molecular weight 542.27 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane.
Chemical Property Profile of EINECS 274-837-7
Property Insights of EINECS 274-837-7
The XLogP value of 4.08292 indicates that EINECS 274-837-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting EINECS 274-837-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 274-837-7 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 274-837-7?
The CAS number of EINECS 274-837-7 is 70750-06-0.
What is the molecular formula of EINECS 274-837-7?
The molecular formula of EINECS 274-837-7 is C28H38N4O7.
What is the molecular weight of EINECS 274-837-7?
The molecular weight of EINECS 274-837-7 is 542.27 g/mol.
Where can I buy EINECS 274-837-7?
You can request a quote for EINECS 274-837-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-837-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-837-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.