RefChem:574006
TL;DR: RefChem:574006 (CAS 65087-21-0) is a chemical compound with molecular formula C34H54N4O7 and molecular weight 630.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamoyloxy]ethoxy]ethyl N-[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamate
Also Known As: oxydiethylene[4-[methyl]cyclohexyl]-carbamate, oxydiethylene[4-[ methyl]cyclohexyl]-carbamate, Carbamic acid, [4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]-, oxydi-2,1-ethanediyl ester, Carbamic acid, (4-((4-isocyanatocyclohexyl)methyl)cyclohexyl)-, oxydi-2,1-ethanediyl ester, oxydiethane-2,1-diyl bis({4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl}carbamate)
| Molecular Formula | C34H54N4O7 |
|---|---|
| Molecular Weight | 630.40 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 630.39923 |
| Heavy Atoms | 45 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 65087-21-0 |
|---|---|
| SMILES | C1CC(CCC1CC2CCC(CC2)N=C=O)NC(=O)OCCOCCOC(=O)NC3CCC(CC3)CC4CCC(CC4)N=C=O |
| InChIKey | ZKFFNZRFZGRXPX-UHFFFAOYSA-N |
Product Overview
RefChem:574006 (CAS 65087-21-0), with molecular formula C34H54N4O7 and molecular weight 630.40 g/mol. IUPAC: 2-[2-[[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamoyloxy]ethoxy]ethyl N-[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamate.
Chemical Property Profile of RefChem:574006
Property Insights of RefChem:574006
The XLogP value of 8.2 indicates that RefChem:574006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:574006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:574006 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:574006?
The CAS number of RefChem:574006 is 65087-21-0.
What is the molecular formula of RefChem:574006?
The molecular formula of RefChem:574006 is C34H54N4O7.
What is the molecular weight of RefChem:574006?
The molecular weight of RefChem:574006 is 630.40 g/mol.
Where can I buy RefChem:574006?
You can request a quote for RefChem:574006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:574006?
Yes, KEHONG BIO provides custom synthesis services for RefChem:574006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.