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CAS 41317-10-6 5-Dimethylamino-2-nitrosophenol Hydrochloride molecular structure lightbox
CAS RN: 41317-10-6

5-Dimethylamino-2-nitrosophenol Hydrochloride

  • Product code: SSC-149776
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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: ＞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 41317-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

41317-10-6 / 5-(dimethylamino)-2-nitrosophenol;hydrochloride

Standard CAS: 41317-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
41317-10-6
Multi CAS
No
Molecular Formula
C8H11CLN2O2
Molecular Weight
202.640000
Exact Mass
202.050905
InChI
InChI=1S/C8H10N2O2.ClH/c1-10(2)6-3-4-7(9-12)8(11)5-6;/h3-5,11H,1-2H3;1H
InChIKey
WRIZNEWVHJJMHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.14
TPSA
52.9

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.34

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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