Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
23030-43-5 / 2-iodobenzene-1,4-diol
Basic Information
CAS
23030-43-5
Multi CAS
No
Molecular Formula
C6H5IO2
Molecular Weight
236.010000
Exact Mass
235.933430
SMILES
C1=CC(=C(C=C1O)I)O
InChI
InChI=1S/C6H5IO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey
HPLUXOMGUZEHFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.49
TPSA
40.46
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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
-
-
2-BroMo-5-Methoxycyclohexa-2,5-diene-1,4-dione
- CAS RN: 23030-65-1
- Product Code: SSC-111826
-
-
-
H-D-CYS(BZL)-OH
- CAS RN: 23032-53-3
- Product Code: starshine_CAS23032-53-3
- Purity/Analytical method: >99.0%
-
1-(3-Methylphenoxy)-4-nitrobenzene
- CAS RN: 2303-25-5
- Product Code: starshine_CAS2303-25-5
- Purity/Analytical method: >99.0%
