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CAS 100442-33-9 1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanol molecular structure lightbox
CAS RN: 100442-33-9

1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanol

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250724 100g In stock Inquiry
Batchno.20250824 10g In stock Inquiry
Batchno.20250416 1g In stock Inquiry
Batchno.20250216 25g In stock Inquiry
Batchno.20250103 500g Out of stock Inquiry
Batchno.20250629 5g In stock Inquiry
  • Product code: SSC-001015
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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: 25g
  • Available purity: ＞97%
  • 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 100442-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

100442-33-9 / 1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-ol

1-[(3,3-Diphenylpropyl)methylamino]-2-methyl-2-propanol | 1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanol | EC 700-254-9

Standard CAS: 100442-33-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100442-33-9
Multi CAS
Yes
Molecular Formula
C20H27NO
Molecular Weight
297.400000
Exact Mass
297.209264
SMILES
CC(C)(CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO/c1-20(2,22)16-21(3)15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,22H,14-16H2,1-3H3
InChIKey
MQWDISMNBYOLAB-UHFFFAOYSA-N
Synonyms
1-[(3,3-Diphenylpropyl)methylamino]-2-methyl-2-propanol 1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanol EC 700-254-9 1-((3,3-Diphenylpropyl)(methyl)amino)-2-methyl-2-propanol 1-((3,3-Diphenylpropyl)methylamino)-2-methyl-2-propanol

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
93.14
TPSA
23.47

LogP / Solubility

WLOGP
3.91
MLOGP
3.45
XLogP3
4
Consensus LogP
3.79
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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