EINECS 241-134-1
TL;DR: EINECS 241-134-1 (CAS 5685-86-9) is a chemical compound with molecular formula C17H19N2O7S-3 and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylate;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
Also Known As: EINECS 241-134-1, 2-hydroxypropane-1,2,3-tricarboxylate; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine, Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-((1E)-2-(2-thienyl)ethenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
| Molecular Formula | C17H19N2O7S-3 |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | -2.7573 |
| Topological Polar Surface Area | 156.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.0913 |
| Heavy Atoms | 27 |
| Complexity | 696.87396 |
Chemical Identifiers
| CAS Number | 5685-86-9 |
|---|---|
| SMILES | CN1CCCN=C1/C=C/C2=CC=CS2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O |
Product Overview
EINECS 241-134-1 (CAS 5685-86-9), with molecular formula C17H19N2O7S-3 and molecular weight 395.09 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylate;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine.
Chemical Property Profile of EINECS 241-134-1
Property Insights of EINECS 241-134-1
The XLogP value of -2.7573 indicates that EINECS 241-134-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.22 Ų indicates high polarity, suggesting EINECS 241-134-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 241-134-1 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 241-134-1?
The CAS number of EINECS 241-134-1 is 5685-86-9.
What is the molecular formula of EINECS 241-134-1?
The molecular formula of EINECS 241-134-1 is C17H19N2O7S-3.
What is the molecular weight of EINECS 241-134-1?
The molecular weight of EINECS 241-134-1 is 395.09 g/mol.
Where can I buy EINECS 241-134-1?
You can request a quote for EINECS 241-134-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 241-134-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 241-134-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.