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CAS 123071-42-1 MALONALDEHYDE DIANILIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 123071-42-1

MALONALDEHYDE DIANILIDE HYDROCHLORIDE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251110 10g In stock Shanghai Inquiry
Batchno.20251221 25g In stock Shanghai Inquiry
Batchno.20260512 500g Out of stock Inquiry
Batchno.20260504 5g In stock Shanghai Inquiry
  • Product code: SSC-026739
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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 123071-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

123071-42-1 / N,N'-diphenylpropane-1,3-diimine;hydrochloride

Standard CAS: 123071-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123071-42-1
Multi CAS
No
Molecular Formula
C15H15ClN2
Molecular Weight
258.740000
Exact Mass
258.092376
SMILES
C1=CC=C(C=C1)N=CCC=NC2=CC=CC=C2.Cl
InChI
InChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-6,8-13H,7H2;1H
InChIKey
FLMLOZWXXPLHIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.05
TPSA
24.72

LogP / Solubility

WLOGP
4.6
MLOGP
4.06
XLogP3
4.6
Consensus LogP
4.42
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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)
-1.03

Drug-likeness / Medicinal Chemistry

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

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