RefChem:123391
TL;DR: RefChem:123391 (CAS 60732-52-7) is a chemical compound with molecular formula C22H22N4O7 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethoxy]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate
Also Known As: Carbamic acid, (3-isocyanatomethylphenyl)-, oxydi-2,1-ethanediyl ester, Oxydiethylene bis[(3-isocyanatomethylphenyl)carbamate], Diethylene glycol, urethane (1:2) with toluene-2,4-diisocyanate, Oxydiethylene bis((3-isocyanatomethylphenyl)carbamate), oxydiethane-2,1-diyl bis{[3-(isocyanatomethyl)phenyl]carbamate}
| Molecular Formula | C22H22N4O7 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 454.14883 |
| Heavy Atoms | 33 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 60732-52-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)OCCOCCOC(=O)NC2=CC=CC(=C2)CN=C=O)CN=C=O |
| InChIKey | GXMMZTHFSJKQLE-UHFFFAOYSA-N |
Product Overview
RefChem:123391 (CAS 60732-52-7), with molecular formula C22H22N4O7 and molecular weight 454.15 g/mol. IUPAC: 2-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethoxy]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate.
Chemical Property Profile of RefChem:123391
Property Insights of RefChem:123391
The XLogP value of 4.1 indicates that RefChem:123391 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:123391 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:123391 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:123391?
The CAS number of RefChem:123391 is 60732-52-7.
What is the molecular formula of RefChem:123391?
The molecular formula of RefChem:123391 is C22H22N4O7.
What is the molecular weight of RefChem:123391?
The molecular weight of RefChem:123391 is 454.15 g/mol.
Where can I buy RefChem:123391?
You can request a quote for RefChem:123391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:123391?
Yes, KEHONG BIO provides custom synthesis services for RefChem:123391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.