![CAS 496032-51-0 1-(4-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/496032-51-0.gif)
CAS RN: 496032-51-0
1-(4-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260302 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS496032-51-0
- Purity/Analytical Methods: >99.0%
496032-51-0 / 1-(4-chlorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
Basic Information
CAS
496032-51-0
Multi CAS
No
Molecular Formula
C18H18CLN3O3
Molecular Weight
359.800000
Exact Mass
359.103669
InChI
InChI=1S/C18H18ClN3O3/c19-14-3-7-16(8-4-14)21-18(24)20-15-5-1-13(2-6-15)17(23)22-9-11-25-12-10-22/h1-8H,9-12H2,(H2,20,21,24)
InChIKey
CLYRAZNPXRXMEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.26
TPSA
70.67
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
2.2
Consensus LogP
2.91
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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