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CAS 25953-06-4 5-Diethylamino-2-nitrosophenol Hydrochloride molecular structure lightbox
CAS RN: 25953-06-4

5-Diethylamino-2-nitrosophenol Hydrochloride

  • Product code: SSC-122676
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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: 1g
  • Available purity: ≥95%
  • 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 25953-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

25953-06-4 / 5-(diethylamino)-2-nitrosophenol;hydrochloride

Standard CAS: 25953-06-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25953-06-4
Multi CAS
No
Molecular Formula
C10H15ClN2O2
Molecular Weight
230.690000
Exact Mass
230.082205
SMILES
CCN(CC)C1=CC(=C(C=C1)N=O)O.Cl
InChI
InChI=1S/C10H14N2O2.ClH/c1-3-12(4-2)8-5-6-9(11-14)10(13)7-8;/h5-7,13H,3-4H2,1-2H3;1H
InChIKey
JFOYWYLGEUIHOJ-UHFFFAOYSA-N

Physical Properties

Physical Description
5-diethylamino-2-nitrosophenol hydrochloride appears as yellow or dark yellow powder. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.37
TPSA
52.9

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
3.06
Consensus LogP
2.94
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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