RefChem:573969
TL;DR: RefChem:573969 (CAS 68975-84-8) is a chemical compound with molecular formula C28H46N4O7 and molecular weight 550.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxy]ethoxy]ethyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
Also Known As: oxydiethylenebis[[methyl]carbamate], Carbamic acid, ((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, oxydi-2,1-ethanediyl ester, Carbamic acid, N-((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-, C,C'-(oxydi-2,1-ethanediyl) ester, Carbamic acid, [(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-, oxydi-2,1-ethanediyl ester, oxydiethane-2,1-diyl bis{[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate}
| Molecular Formula | C28H46N4O7 |
|---|---|
| Molecular Weight | 550.34 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 550.3367 |
| Heavy Atoms | 39 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 68975-84-8 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CNC(=O)OCCOCCOC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C |
| InChIKey | GEAXSAZVMULMFV-UHFFFAOYSA-N |
Product Overview
RefChem:573969 (CAS 68975-84-8), with molecular formula C28H46N4O7 and molecular weight 550.34 g/mol. IUPAC: 2-[2-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxy]ethoxy]ethyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate.
Chemical Property Profile of RefChem:573969
Property Insights of RefChem:573969
The XLogP value of 6.5 indicates that RefChem:573969 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:573969 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:573969 has 2 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:573969?
The CAS number of RefChem:573969 is 68975-84-8.
What is the molecular formula of RefChem:573969?
The molecular formula of RefChem:573969 is C28H46N4O7.
What is the molecular weight of RefChem:573969?
The molecular weight of RefChem:573969 is 550.34 g/mol.
Where can I buy RefChem:573969?
You can request a quote for RefChem:573969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:573969?
Yes, KEHONG BIO provides custom synthesis services for RefChem:573969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.