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CAS 4093-41-8 METHYL 4-(ACETYLAMINO)-2-METHOXY-5-NITR& molecular structure lightbox
CAS RN: 4093-41-8

METHYL 4-(ACETYLAMINO)-2-METHOXY-5-NITR&

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250910 1g In stock Inquiry
Batchno.20251227 250mg In stock Inquiry
Batchno.20251108 25g Out of stock Inquiry
Batchno.20260531 5g In stock Inquiry
  • Product code: SSC-149324
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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: 1g
  • 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 4093-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

4093-41-8 / methyl 4-acetamido-2-methoxy-5-nitrobenzoate

Standard CAS: 4093-41-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4093-41-8
Multi CAS
Yes
Molecular Formula
C11H12N2O6
Molecular Weight
268.220000
Exact Mass
268.069536
InChI
InChI=1S/C11H12N2O6/c1-6(14)12-8-5-10(18-2)7(11(15)19-3)4-9(8)13(16)17/h4-5H,1-3H3,(H,12,14)
InChIKey
AGSSDWHUSPSVFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
65.29
TPSA
107.77

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

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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