EINECS 306-585-1
TL;DR: EINECS 306-585-1 (CAS 97337-90-1) is a chemical compound with molecular formula C48H80N8O4 and molecular weight 832.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-[3-methyl-5-[6-[[3-methyl-5-(octadecylcarbamoylamino)phenyl]carbamoylamino]hexylcarbamoylamino]phenyl]urea
Also Known As: EINECS 306-585-1, 1-(6-((((3-(((Cyclohexylamino)carbonyl)amino)-5-methylphenyl)amino)carbonyl)amino)hexyl)-3-(3-methyl-5-(((octadecylamino)carbonyl)amino)phenyl)urea, 1-[6-[[[[3-[[(cyclohexylamino)carbonyl]amino]-5-methylphenyl]amino]carbonyl]amino]hexyl]-3-[3-methyl-5-[[(octadecylamino, 1-[6-[[[[3-[[(CYCLOHEXYLAMINO)CARBONYL]AMINO]-5-METHYLPHENYL]AMINO]CARBONYL]AMINO]HEXYL]-3-[3-METHYL-5-[[(OCTADECYLAMINO)CARBONYL]AMINO]PHENYL]UREA, 1-{6-[({3-[(cyclohexylcarbamoyl)amino]-5-methylphenyl}carbamoyl)amino]hexyl}-3-{3-methyl-5-[(octadecylcarbamoyl)amino]phenyl}urea
| Molecular Formula | C48H80N8O4 |
|---|---|
| Molecular Weight | 832.63 g/mol |
| LogP | 12.64424 |
| Topological Polar Surface Area | 164.52 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 29 |
| Exact Mass | 832.63025 |
| Heavy Atoms | 60 |
| Complexity | 1529.6864 |
Chemical Identifiers
| CAS Number | 97337-90-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC(=CC(=C1)C)NC(=O)NCCCCCCNC(=O)NC2=CC(=CC(=C2)C)NC(=O)NC3CCCCC3 |
Product Overview
EINECS 306-585-1 (CAS 97337-90-1), with molecular formula C48H80N8O4 and molecular weight 832.63 g/mol. IUPAC: 1-cyclohexyl-3-[3-methyl-5-[6-[[3-methyl-5-(octadecylcarbamoylamino)phenyl]carbamoylamino]hexylcarbamoylamino]phenyl]urea.
Chemical Property Profile of EINECS 306-585-1
Property Insights of EINECS 306-585-1
The XLogP value of 12.64424 indicates that EINECS 306-585-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.52 Ų indicates high polarity, suggesting EINECS 306-585-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 306-585-1 has 8 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 306-585-1?
The CAS number of EINECS 306-585-1 is 97337-90-1.
What is the molecular formula of EINECS 306-585-1?
The molecular formula of EINECS 306-585-1 is C48H80N8O4.
What is the molecular weight of EINECS 306-585-1?
The molecular weight of EINECS 306-585-1 is 832.63 g/mol.
Where can I buy EINECS 306-585-1?
You can request a quote for EINECS 306-585-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 306-585-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 306-585-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.