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CAS 77317-55-6 Methyl 2-Amino-5-iodobenzoate molecular structure lightbox
CAS RN: 77317-55-6

Methyl 2-Amino-5-iodobenzoate

Product Availability

Choose a grade to view its available package options.

10 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250907 25g In stock Inquiry
Batchno.20251219 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251230 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250521 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251108 1g In stock Shanghai, Shandong Inquiry
Batchno.20251031 25g In stock Tianjin Inquiry
Batchno.20260113 25g Out of stock 5-7 business days Inquiry
Batchno.20250805 5g Out of stock Inquiry
Batchno.20251119 5g In stock Shanghai Inquiry
  • Product code: SSC-186848
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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, 5g, 10g, 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 77317-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

77317-55-6 / methyl 2-amino-5-iodobenzoate

Standard CAS: 77317-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77317-55-6
Multi CAS
No
Molecular Formula
C8H8InO2
Molecular Weight
277.060000
Exact Mass
276.959980
InChI
InChI=1S/C8H8INO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChIKey
NNXVARLKWUFGGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.91
TPSA
52.32

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
2.4
Consensus LogP
1.84
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-3.23

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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