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CAS 120321-72-4 1-Methyl-1H-benzotriazole-5-methanol molecular structure lightbox
CAS RN: 120321-72-4

1-Methyl-1H-benzotriazole-5-methanol

  • Product code: SSC-021183
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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
  • 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 120321-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

120321-72-4 / (1-methylbenzotriazol-5-yl)methanol

(1-Methyl-1H-1,2,3-Benzotriazol-5-Yl)Methanol | 1-Methyl-1H-benzotriazole-5-methanol | RefChem:392293

Standard CAS: 120321-72-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120321-72-4
Multi CAS
No
Molecular Formula
C8H9N3O
Molecular Weight
163.180000
Exact Mass
163.074562
SMILES
CN1C2=C(C=C(C=C2)CO)N=N1
InChI
InChI=1S/C8H9N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-4,12H,5H2,1H3
InChIKey
HVLCKOBNGNRDPT-UHFFFAOYSA-N
Synonyms
(1-Methyl-1H-1,2,3-Benzotriazol-5-Yl)Methanol 1-Methyl-1H-benzotriazole-5-methanol RefChem:392293 820-369-9 (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanol

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.43
TPSA
50.94

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
0.2
Consensus LogP
0.35
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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