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CAS 1035155-69-1 (2-Chloro-5-iodophenyl)methanol molecular structure lightbox
CAS RN: 1035155-69-1

(2-Chloro-5-iodophenyl)methanol

  • Product code: SSC-005076
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1035155-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1035155-69-1 / (2-chloro-5-iodophenyl)methanol

2-chloro-5-iodobenzyl alcohol | RefChem:469360 | 816-760-9

Standard CAS: 1035155-69-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1035155-69-1
Multi CAS
No
Molecular Formula
C7H6ClIO
Molecular Weight
268.480000
Exact Mass
267.915190
SMILES
C1=CC(=C(C=C1I)CO)Cl
InChI
InChI=1S/C7H6ClIO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
InChIKey
ZKCHXDGUCIFRFK-UHFFFAOYSA-N
Synonyms
2-chloro-5-iodobenzyl alcohol RefChem:469360 816-760-9 (2-chloro-5-iodophenyl)methanol MFCD18072886

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.09
TPSA
20.23

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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