[email protected]
CAS 788824-64-6 4-[4-(2-Aminoethyl)-2-iodophenoxy]phenol Hydrochloride molecular structure lightbox
CAS RN: 788824-64-6

4-[4-(2-Aminoethyl)-2-iodophenoxy]phenol Hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251019 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS788824-64-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

788824-64-6 / 4-[4-(2-aminoethyl)-2-iodophenoxy]phenol;hydrochloride

Standard CAS: 788824-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
788824-64-6
Multi CAS
Yes
Molecular Formula
C15H15LiNO2
Molecular Weight
391.630000
Exact Mass
390.983600
InChI
InChI=1S/C14H14INO2.ClH/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12;/h1-6,9,17H,7-8,16H2;1H
InChIKey
RVKVVMXTPQCCIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
87.35
TPSA
55.48

LogP / Solubility

WLOGP
3.71
MLOGP
3.29
XLogP3
3.71
Consensus LogP
3.57
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us