RefChem:573968
TL;DR: RefChem:573968 (CAS 68975-82-6) is a chemical compound with molecular formula C42H68N6O9 and molecular weight 800.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
Also Known As: N,N',N''-Tris(5-isocyanato-1,3,3-trimethylcyclohexylmethyl)-1,1,1-tris(carbamoyloxymethyl)propane, Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, 2-ethyl-2-((((((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)amino)carbonyl)oxy)methyl)-1,3-propanediyl ester, Carbamic acid, N-((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, C,C'-(2-ethyl-2-((((((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)amino)carbonyl)oxy)methyl)-1,3-propanediyl) ester, Carbamic acid, [(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, 2-ethyl-2-[[[[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]amino]carbonyl]oxy]methyl]-1,3-propanediyl ester, Carbamic acid, N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, C,C'-[2-ethyl-2-[[[[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]amino]carbonyl]oxy]methyl]-1,3-propanediyl] ester
| Molecular Formula | C42H68N6O9 |
|---|---|
| Molecular Weight | 800.50 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Exact Mass | 800.50476 |
| Heavy Atoms | 57 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 68975-82-6 |
|---|---|
| SMILES | CCC(COC(=O)NCC1(CC(CC(C1)(C)C)N=C=O)C)(COC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)COC(=O)NCC3(CC(CC(C3)(C)C)N=C=O)C |
| InChIKey | DDLUIVHBBMLRPG-UHFFFAOYSA-N |
Product Overview
RefChem:573968 (CAS 68975-82-6), with molecular formula C42H68N6O9 and molecular weight 800.50 g/mol. IUPAC: 2,2-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxymethyl]butyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate.
Chemical Property Profile of RefChem:573968
Property Insights of RefChem:573968
The XLogP value of 10.9 indicates that RefChem:573968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.0 Ų indicates high polarity, suggesting RefChem:573968 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:573968 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:573968?
The CAS number of RefChem:573968 is 68975-82-6.
What is the molecular formula of RefChem:573968?
The molecular formula of RefChem:573968 is C42H68N6O9.
What is the molecular weight of RefChem:573968?
The molecular weight of RefChem:573968 is 800.50 g/mol.
Where can I buy RefChem:573968?
You can request a quote for RefChem:573968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:573968?
Yes, KEHONG BIO provides custom synthesis services for RefChem:573968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.