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CAS 80036-89-1 Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate molecular structure lightbox
CAS RN: 80036-89-1

Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate

  • Product code: SSC-189041
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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, 100g, 10g
  • 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 80036-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
25g ≥95% 5 In Stock Beijing Inquiry
100g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 4 In Stock Beijing Inquiry

80036-89-1 / methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate

Standard CAS: 80036-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80036-89-1
Multi CAS
No
Molecular Formula
C11H15NO5S
Molecular Weight
273.310000
Exact Mass
273.067094
InChI
InChI=1S/C11H15NO5S/c1-4-18(14,15)10-5-7(11(13)17-3)9(16-2)6-8(10)12/h5-6H,4,12H2,1-3H3
InChIKey
BBWJVKZAKHIKRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
66.47
TPSA
95.69

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
1.5
Consensus LogP
1.04
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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