4-(3-Iodo-4-methylbenzoyl)morpholine
TL;DR: 4-(3-Iodo-4-methylbenzoyl)morpholine (CAS 496029-56-2) is a chemical compound with molecular formula C12H14INO2 and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-iodo-4-methylphenyl)-morpholin-4-ylmethanone
Also Known As: 4-(3-iodo-4-methylbenzoyl)morpholine, (3-iodo-4-methylphenyl)-morpholin-4-ylmethanone, 3-iodo-4-methylphenyl morpholin-4-yl ketone, (3-iodo-4-methylphenyl)(morpholino)methanone, (3-iodo-4-methylphenyl)(morpholin-4-yl)methanone
| Molecular Formula | C12H14INO2 |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | 2.07202 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.00693 |
| Heavy Atoms | 16 |
| Complexity | 400.00528 |
Chemical Identifiers
| CAS Number | 496029-56-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCOCC2)I |
Product Overview
4-(3-Iodo-4-methylbenzoyl)morpholine (CAS 496029-56-2), with molecular formula C12H14INO2 and molecular weight 331.01 g/mol. IUPAC: (3-iodo-4-methylphenyl)-morpholin-4-ylmethanone.
Chemical Property Profile of 4-(3-Iodo-4-methylbenzoyl)morpholine
Property Insights of 4-(3-Iodo-4-methylbenzoyl)morpholine
The XLogP value of 2.07202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Iodo-4-methylbenzoyl)morpholine. With a topological polar surface area (TPSA) of 29.54 Ų, 4-(3-Iodo-4-methylbenzoyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Iodo-4-methylbenzoyl)morpholine has 0 hydrogen bond donor(s) and 2 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-Iodo-4-methylbenzoyl)morpholine?
The CAS number of 4-(3-Iodo-4-methylbenzoyl)morpholine is 496029-56-2.
What is the molecular formula of 4-(3-Iodo-4-methylbenzoyl)morpholine?
The molecular formula of 4-(3-Iodo-4-methylbenzoyl)morpholine is C12H14INO2.
What is the molecular weight of 4-(3-Iodo-4-methylbenzoyl)morpholine?
The molecular weight of 4-(3-Iodo-4-methylbenzoyl)morpholine is 331.01 g/mol.
Where can I buy 4-(3-Iodo-4-methylbenzoyl)morpholine?
You can request a quote for 4-(3-Iodo-4-methylbenzoyl)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-Iodo-4-methylbenzoyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Iodo-4-methylbenzoyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.