[email protected]
CAS 221529-58-4 4,5-DIHYDRO-N-[4-[[4-(1-METHYLETHOXY)PHENYL]METHYL]PHENYL]-1H-IMIDAZOL-2-AMINE molecular structure lightbox
CAS RN: 221529-58-4

4,5-DIHYDRO-N-[4-[[4-(1-METHYLETHOXY)PHENYL]METHYL]PHENYL]-1H-IMIDAZOL-2-AMINE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250613 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100mg Out of stock Inquiry
Batchno.20260328 1mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS221529-58-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

221529-58-4 / N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

Standard CAS: 221529-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221529-58-4
Multi CAS
No
Molecular Formula
C19H23N3O
Molecular Weight
309.400000
Exact Mass
309.184112
SMILES
CC(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)NC3=NCCN3
InChI
InChI=1S/C19H23N3O/c1-14(2)23-18-9-5-16(6-10-18)13-15-3-7-17(8-4-15)22-19-20-11-12-21-19/h3-10,14H,11-13H2,1-2H3,(H2,20,21,22)
InChIKey
GYYRMJMXXLJZAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.38
TPSA
45.65

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
3.6
Consensus LogP
3.36
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us