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CAS 59548-39-9 4-METHOXY-O-PHENYLENEDIAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 59548-39-9

4-METHOXY-O-PHENYLENEDIAMINE DIHYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-167998
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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 59548-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

59548-39-9 / 4-methoxybenzene-1,2-diamine;dihydrochloride

Standard CAS: 59548-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59548-39-9
Multi CAS
Yes
Molecular Formula
C7H12CL2N2O
Molecular Weight
211.090000
Exact Mass
210.032668
InChI
InChI=1S/C7H10N2O.2ClH/c1-10-5-2-3-6(8)7(9)4-5;;/h2-4H,8-9H2,1H3;2*1H
InChIKey
SXCHMHOBHJOXGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.31
TPSA
61.27

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

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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