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CAS 1310377-56-0 methyl 2-(bromomethyl)-5-iodobenzoate molecular structure lightbox
CAS RN: 1310377-56-0

methyl 2-(bromomethyl)-5-iodobenzoate

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250412 100mg Out of stock Inquiry
Batchno.20250827 1g Out of stock Inquiry
Batchno.20250215 250mg Out of stock Inquiry
  • Product code: SSC-037656
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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: 0.1g, 0.25g, 1g, 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 1310377-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1310377-56-0 / methyl 2-(bromomethyl)-5-iodobenzoate

Standard CAS: 1310377-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1310377-56-0
Multi CAS
No
Molecular Formula
C9H8BrIO2
Molecular Weight
354.970000
Exact Mass
353.875240
SMILES
COC(=O)C1=C(C=CC(=C1)I)CBr
InChI
InChI=1S/C9H8BrIO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
InChIKey
UCENSHTXYGCSJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
63.13
TPSA
26.3

LogP / Solubility

WLOGP
2.97
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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