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CAS 4093-31-6 Methyl 4-acetamido-5-chloro-2-methoxybenzoate molecular structure lightbox
CAS RN: 4093-31-6

Methyl 4-acetamido-5-chloro-2-methoxybenzoate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 100g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260211 10g In stock Shanghai, Wuhan Inquiry
Batchno.20260220 25g In stock Wuhan Inquiry
Batchno.20250405 500g In stock Shenzhen, Tianjin Inquiry
Batchno.20260618 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-149322
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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: 100g
  • 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 4093-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

4093-31-6 / methyl 4-acetamido-5-chloro-2-methoxybenzoate

Standard CAS: 4093-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4093-31-6
Multi CAS
No
Molecular Formula
C11H12CLNO4
Molecular Weight
257.670000
Exact Mass
257.045486
InChI
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
InChIKey
OUEXNQRVYGYGIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.65
TPSA
64.63

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

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

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