EINECS 269-716-0
TL;DR: EINECS 269-716-0 (CAS 68310-49-6) is a chemical compound with molecular formula C45H51N9O9 and molecular weight 861.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[3,5-bis[2-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]-2-oxoazepane-1-carboxamide
Also Known As: EINECS 269-716-0, 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene)]tris[hexahydro-2-oxo-, 1H-Azepine-1-carboxamide, N,N',N''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-3,1-phenylene))tris(hexahydro-2-oxo-, N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-m-phenylene))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide), N,N',N''-[(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tris(2-methyl-3,1-phenylene)]tris(2-oxoazepane-1-carboxamide)
| Molecular Formula | C45H51N9O9 |
|---|---|
| Molecular Weight | 861.38 g/mol |
| LogP | 5.86806 |
| Topological Polar Surface Area | 214.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 861.381 |
| Heavy Atoms | 63 |
| Complexity | 2379.796 |
Chemical Identifiers
| CAS Number | 68310-49-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1N2C(=O)N(C(=O)N(C2=O)C3=CC=CC(=C3C)NC(=O)N4CCCCCC4=O)C5=CC=CC(=C5C)NC(=O)N6CCCCCC6=O)NC(=O)N7CCCCCC7=O |
Product Overview
EINECS 269-716-0 (CAS 68310-49-6), with molecular formula C45H51N9O9 and molecular weight 861.38 g/mol. IUPAC: N-[3-[3,5-bis[2-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]-2-oxoazepane-1-carboxamide.
Chemical Property Profile of EINECS 269-716-0
Property Insights of EINECS 269-716-0
The XLogP value of 5.86806 indicates that EINECS 269-716-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.23 Ų indicates high polarity, suggesting EINECS 269-716-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 269-716-0 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 269-716-0?
The CAS number of EINECS 269-716-0 is 68310-49-6.
What is the molecular formula of EINECS 269-716-0?
The molecular formula of EINECS 269-716-0 is C45H51N9O9.
What is the molecular weight of EINECS 269-716-0?
The molecular weight of EINECS 269-716-0 is 861.38 g/mol.
Where can I buy EINECS 269-716-0?
You can request a quote for EINECS 269-716-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 269-716-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 269-716-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.