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CAS 1256958-34-5 Methyl 2-aMino-5-iodo-4-Methoxybenzoate molecular structure lightbox
CAS RN: 1256958-34-5

Methyl 2-aMino-5-iodo-4-Methoxybenzoate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260507 1g Out of stock Inquiry
Batchno.20251028 250mg In stock Shenzhen Inquiry
  • Product code: SSC-030918
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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: 5g
  • Available purity: ≥95%
  • 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 1256958-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1256958-34-5 / methyl 2-amino-5-iodo-4-methoxybenzoate

Standard CAS: 1256958-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256958-34-5
Multi CAS
No
Molecular Formula
C9H10INO3
Molecular Weight
307.080000
Exact Mass
306.970540
SMILES
COC1=C(C=C(C(=C1)N)C(=O)OC)I
InChI
InChI=1S/C9H10INO3/c1-13-8-4-7(11)5(3-6(8)10)9(12)14-2/h3-4H,11H2,1-2H3
InChIKey
RXHOMYWGIHJLDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.46
TPSA
61.55

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
2.3
Consensus LogP
1.82
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-3.41

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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