RefChem:821577
TL;DR: RefChem:821577 (CAS 68975-83-7) is a chemical compound with molecular formula C54H87N9O9 and molecular weight 1005.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide
Also Known As: 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]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(methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)))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(methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)))tris(hexahydro-2-oxo-, 2-oxo-n-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-tri, N,N',N''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)- triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1- diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)
| Molecular Formula | C54H87N9O9 |
|---|---|
| Molecular Weight | 1005.66 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 1005.66266 |
| Heavy Atoms | 72 |
| Complexity | 1890.0 |
Chemical Identifiers
| CAS Number | 68975-83-7 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)NC(=O)N4CCCCCC4=O)C)CC5(CC(CC(C5)(C)C)NC(=O)N6CCCCCC6=O)C)NC(=O)N7CCCCCC7=O)C |
| InChIKey | XAUGVXXNNOTSRJ-UHFFFAOYSA-N |
Product Overview
RefChem:821577 (CAS 68975-83-7), with molecular formula C54H87N9O9 and molecular weight 1005.66 g/mol. IUPAC: 2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide.
Chemical Property Profile of RefChem:821577
Property Insights of RefChem:821577
The XLogP value of 7.3 indicates that RefChem:821577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting RefChem:821577 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:821577 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 RefChem:821577?
The CAS number of RefChem:821577 is 68975-83-7.
What is the molecular formula of RefChem:821577?
The molecular formula of RefChem:821577 is C54H87N9O9.
What is the molecular weight of RefChem:821577?
The molecular weight of RefChem:821577 is 1005.66 g/mol.
Where can I buy RefChem:821577?
You can request a quote for RefChem:821577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:821577?
Yes, KEHONG BIO provides custom synthesis services for RefChem:821577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.