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CAS 63603-09-8 Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate molecular structure lightbox
CAS RN: 63603-09-8

Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate

  • Product code: SSC-173330
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 63603-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry
500g ≥95% 0 Out of Stock Hong Kong Inquiry

63603-09-8 / ethyl 5-chloro-2-hydroxy-3-nitrobenzoate

Standard CAS: 63603-09-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63603-09-8
Multi CAS
Yes
Molecular Formula
C9H8CLNO5
Molecular Weight
245.610000
Exact Mass
245.009100
InChI
InChI=1S/C9H8ClNO5/c1-15-7-4-5(9(12)16-2)3-6(8(7)10)11(13)14/h3-4H,1-2H3
InChIKey
QNYHMMOXMRPWTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.73
TPSA
89.67

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.8
Consensus LogP
2.27
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.71

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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