[email protected]
CAS 117832-18-5 2,4-diiodo-5-Methoxyaniline molecular structure lightbox
CAS RN: 117832-18-5

2,4-diiodo-5-Methoxyaniline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250531 100mg Out of stock Inquiry
  • Product code: starshine_CAS117832-18-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

117832-18-5 / 2,4-diiodo-5-methoxyaniline

2,4-diiodo-5-methoxyaniline | 2,4-diiodo-5-methoxy-aniline | MFCD13186706

Standard CAS: 117832-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117832-18-5
Multi CAS
No
Molecular Formula
C7H7I2NO
Molecular Weight
374.950000
Exact Mass
374.861710
SMILES
COC1=C(C=C(C(=C1)N)I)I
InChI
InChI=1S/C7H7I2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3
InChIKey
PBMVWEZIWGPXPX-UHFFFAOYSA-N
Synonyms
2,4-diiodo-5-methoxyaniline 2,4-diiodo-5-methoxy-aniline MFCD13186706 C7H7I2NO SCHEMBL5038230

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.84
TPSA
35.25

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

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