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CAS 4073-98-7 4,4′-Methylenebis(2,6-dimethylaniline) molecular structure lightbox
CAS RN: 4073-98-7

4,4′-Methylenebis(2,6-dimethylaniline)

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250128 5g In stock Shanghai, Guangdong, Hebei Inquiry
  • Product code: SSC-149059
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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: 5g
  • 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 4073-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

4073-98-7 / 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline

Standard CAS: 4073-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4073-98-7
Multi CAS
No
Molecular Formula
C17H22N2
Molecular Weight
254.370000
Exact Mass
254.178299
InChI
InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
InChIKey
OMHOXRVODFQGCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.46
TPSA
52.04

LogP / Solubility

WLOGP
3.68
MLOGP
3.24
XLogP3
3.9
Consensus LogP
3.61
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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