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CAS 2006277-78-5 N-Succinimidyl 3-Methoxy-4-nitrobenzoate molecular structure lightbox
CAS RN: 2006277-78-5

N-Succinimidyl 3-Methoxy-4-nitrobenzoate

  • Product code: SSC-094525
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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: 0.1g, 0.25g, 1g, 10g, 5g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 6
  • 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 2006277-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 5 In Stock Hong Kong Inquiry
0.25g ＞97% 5 In Stock Shenzhen Inquiry
1g ＞97% 5 In Stock Beijing Inquiry
10g ＞97% 5 In Stock Beijing Inquiry
5g ＞97% 3 In Stock Shanghai Inquiry
25g ＞97% 2 In Stock Beijing Inquiry

2006277-78-5 / (2,5-dioxopyrrolidin-1-yl) 3-methoxy-4-nitrobenzoate

Standard CAS: 2006277-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-78-5
Multi CAS
No
Molecular Formula
C12H10N2O7
Molecular Weight
294.220000
Exact Mass
294.048801
SMILES
COC1=C(C=CC(=C1)C(=O)ON2C(=O)CCC2=O)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O7/c1-20-9-6-7(2-3-8(9)14(18)19)12(17)21-13-10(15)4-5-11(13)16/h2-3,6H,4-5H2,1H3
InChIKey
QZKONAQIRJOJFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
66.15
TPSA
116.05

LogP / Solubility

WLOGP
0.82
MLOGP
0.74
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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