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CAS 119-58-4 4,4′-Bis(dimethylamino)benzhydrol molecular structure lightbox
CAS RN: 119-58-4

4,4′-Bis(dimethylamino)benzhydrol

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251116 5g In stock Shanghai Inquiry
  • Product code: SSC-019242
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

119-58-4 / bis[4-(dimethylamino)phenyl]methanol

4,4'-Bis(dimethylamino)benzhydrol | Bis(4-(dimethylamino)phenyl)methanol | Bis[4-(dimethylamino)phenyl]methanol

Standard CAS: 119-58-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119-58-4
Multi CAS
No
Molecular Formula
C17H22N2O
Molecular Weight
270.370000
Exact Mass
270.173213
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)O
InChI
InChI=1S/C17H22N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12,17,20H,1-4H3
InChIKey
YLZSIUVOIFJGQZ-UHFFFAOYSA-N
Synonyms
4,4'-Bis(dimethylamino)benzhydrol Bis(4-(dimethylamino)phenyl)methanol Bis[4-(dimethylamino)phenyl]methanol p,p'-Bis(dimethylamino)benzhydrol N,N'-Tetramethyl-4,4'-diaminobenzohydrol

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.6
TPSA
26.71

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (93.3%): 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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