4-(3-Isocyanatobenzyl)morpholine
TL;DR: 4-(3-Isocyanatobenzyl)morpholine (CAS 166740-66-5) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-isocyanatophenyl)methyl]morpholine
Also Known As: 4-(3-isocyanatobenzyl)morpholine, 4-[(3-isocyanatophenyl)methyl]morpholine, Morpholine,4-[(3-isocyanatophenyl)methyl]-, 3-(morpholin-4-ylmethyl)benzenisocyanate, Morpholine, 4-[(3-isocyanatophenyl)methyl]-
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.4861 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 393.76016 |
Chemical Identifiers
| CAS Number | 166740-66-5 |
|---|---|
| SMILES | C1COCCN1CC2=CC(=CC=C2)N=C=O |
Product Overview
4-(3-Isocyanatobenzyl)morpholine (CAS 166740-66-5), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 4-[(3-isocyanatophenyl)methyl]morpholine.
Chemical Property Profile of 4-(3-Isocyanatobenzyl)morpholine
Property Insights of 4-(3-Isocyanatobenzyl)morpholine
The XLogP value of 1.4861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Isocyanatobenzyl)morpholine. With a topological polar surface area (TPSA) of 41.9 Ų, 4-(3-Isocyanatobenzyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Isocyanatobenzyl)morpholine has 0 hydrogen bond donor(s) and 4 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 4-(3-Isocyanatobenzyl)morpholine?
The CAS number of 4-(3-Isocyanatobenzyl)morpholine is 166740-66-5.
What is the molecular formula of 4-(3-Isocyanatobenzyl)morpholine?
The molecular formula of 4-(3-Isocyanatobenzyl)morpholine is C12H14N2O2.
What is the molecular weight of 4-(3-Isocyanatobenzyl)morpholine?
The molecular weight of 4-(3-Isocyanatobenzyl)morpholine is 218.11 g/mol.
Where can I buy 4-(3-Isocyanatobenzyl)morpholine?
You can request a quote for 4-(3-Isocyanatobenzyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Isocyanatobenzyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Isocyanatobenzyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.