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CAS 103057-10-9 4-(CHLOROMETHYL)-1-TRITYL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 103057-10-9

4-(CHLOROMETHYL)-1-TRITYL-1H-IMIDAZOLE

  • Product code: SSC-004497
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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: 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 103057-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

103057-10-9 / 4-(chloromethyl)-1-tritylimidazole

4-(Chloromethyl)-1-trityl-1H-imidazole | DTXSID10376788 | RefChem:288684

Standard CAS: 103057-10-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103057-10-9
Multi CAS
No
Molecular Formula
C23H19ClN2
Molecular Weight
358.900000
Exact Mass
358.123676
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CCl
InChI
InChI=1S/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2
InChIKey
ADCUCAMWCWNHJA-UHFFFAOYSA-N
Synonyms
4-(Chloromethyl)-1-trityl-1H-imidazole DTXSID10376788 RefChem:288684 DTXCID10327816 4-(chloromethyl)-1-tritylimidazole

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
23
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
106.39
TPSA
17.82

LogP / Solubility

WLOGP
5.46
MLOGP
4.83
XLogP3
5.2
Consensus LogP
5.16
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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