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CAS 71675-87-1 4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic Acid molecular structure lightbox
CAS RN: 71675-87-1

4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-181247
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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: 25g
  • Available purity: ≥97%
  • 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 71675-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

71675-87-1 / 4-amino-5-ethylsulfonyl-2-methoxybenzoic acid

Standard CAS: 71675-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71675-87-1
Multi CAS
No
Molecular Formula
C10H13NO5S
Molecular Weight
259.280000
Exact Mass
259.051444
InChI
InChI=1S/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKey
OJVNCXHGGYYOPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.09
TPSA
106.69

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
1.2
Consensus LogP
0.88
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.76

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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