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CAS 115570-52-0 Neopentyl Glycol Bis(4-aminophenyl) Ether molecular structure lightbox
CAS RN: 115570-52-0

Neopentyl Glycol Bis(4-aminophenyl) Ether

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250222 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260213 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250302 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-015328
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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 115570-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

115570-52-0 / 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline

Neopentyl Glycol Bis(4-aminophenyl) Ether | RefChem:832327 | 678-297-7

Standard CAS: 115570-52-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115570-52-0
Multi CAS
Yes
Molecular Formula
C17H22N2O2
Molecular Weight
286.370000
Exact Mass
286.168128
SMILES
CC(C)(COC1=CC=C(C=C1)N)COC2=CC=C(C=C2)N
InChI
InChI=1S/C17H22N2O2/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3-10H,11-12,18-19H2,1-2H3
InChIKey
HPUJEBAZZTZOFL-UHFFFAOYSA-N
Synonyms
Neopentyl Glycol Bis(4-aminophenyl) Ether RefChem:832327 678-297-7 4,4'-((2,2-Dimethylpropane-1,3-diyl)bis(oxy))dianiline 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.48
TPSA
70.5

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.4
Consensus LogP
3.23
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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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