[email protected]
CAS 1093418-75-7 4-BroMo-2-iodo-benzoic acid Methyl ester molecular structure lightbox
CAS RN: 1093418-75-7

4-BroMo-2-iodo-benzoic acid Methyl ester

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260221 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260420 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260606 500g In stock Shanghai, Chengdu Inquiry
Batchno.20250912 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-010611
GET A QUOTE
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
Request Bulk Quote

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 1093418-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

1093418-75-7 / methyl 4-bromo-2-iodobenzoate

methyl 3-bromo-2-iodobenzoate | Benzoic acid, 3-bromo-2-iodo-, methyl ester | MFCD18398801

Standard CAS: 1093418-75-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1093418-75-7
Multi CAS
Yes
Molecular Formula
C8H6BrIO2
Molecular Weight
340.940000
Exact Mass
339.859590
SMILES
COC(=O)C1=C(C=C(C=C1)Br)I
InChI
InChI=1S/C8H6BrIO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey
VAYKANWZAJRNOM-UHFFFAOYSA-N
Synonyms
methyl 3-bromo-2-iodobenzoate Benzoic acid, 3-bromo-2-iodo-, methyl ester MFCD18398801 methyl 3-bromo-2-iodo-benzoate methyl3-bromo-2-iodobenzoate

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.2
TPSA
26.3

LogP / Solubility

WLOGP
2.84
MLOGP
2.52
XLogP3
3.4
Consensus LogP
2.92
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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
No
Log Kp (skin permeation)
-2.78

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us