CAS RN: 144550-76-5

Methyl2-Amino-4-Iodobenzoate

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260628 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251021 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250606 25g Out of stock Inquiry
Batchno.20250114 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260616 250mg / 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-055722
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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: 10g
  • 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 144550-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

144550-76-5 / methyl 2-amino-4-iodobenzoate

Standard CAS: 144550-76-5 Multi CAS: No

Basic Information

CAS
144550-76-5
Multi CAS
No
Molecular Formula
C8H8INO2
Molecular Weight
277.060000
Exact Mass
276.959980
SMILES
COC(=O)C1=C(C=C(C=C1)I)N
InChI
InChI=1S/C8H8INO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChIKey
FSNRVHNXSYBHSI-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
2.5
Consensus LogP
1.88
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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