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CAS 61873-93-6 Methyl (4-Hydroxy-3-nitrophenyl)acetate molecular structure lightbox
CAS RN: 61873-93-6

Methyl (4-Hydroxy-3-nitrophenyl)acetate

  • Product code: SSC-170842
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 1g, 10g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61873-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shanghai Inquiry
1g >98% 1 In Stock Hong Kong Inquiry
10g >98% 1 In Stock Hong Kong Inquiry
100g >98% 1 In Stock Shanghai Inquiry

61873-93-6 / methyl 2-(4-hydroxy-3-nitrophenyl)acetate

Standard CAS: 61873-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61873-93-6
Multi CAS
No
Molecular Formula
C9H9NO5
Molecular Weight
211.170000
Exact Mass
211.048072
InChI
InChI=1S/C9H9NO5/c1-15-9(12)5-6-2-3-8(11)7(4-6)10(13)14/h2-4,11H,5H2,1H3
InChIKey
SPCRIUSIYZYZKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.48
TPSA
89.67

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.8
Consensus LogP
1.24
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

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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