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CAS 15435-29-7 2,2′-Methylenebis(6-bromo-4-chlorophenol) molecular structure lightbox
CAS RN: 15435-29-7

2,2′-Methylenebis(6-bromo-4-chlorophenol)

  • Product code: SSC-063703
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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: 25g
  • 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 15435-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

15435-29-7 / 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol

Standard CAS: 15435-29-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15435-29-7
Multi CAS
No
Molecular Formula
C13H8Br2Cl2O2
Molecular Weight
426.900000
Exact Mass
425.824760
SMILES
C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)Br)O)O)Br)Cl
InChI
InChI=1S/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2
InChIKey
TYBHZVUFOINFDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.44
TPSA
40.46

LogP / Solubility

WLOGP
5.52
MLOGP
4.89
XLogP3
5.8
Consensus LogP
5.4
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (57.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (14.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (14.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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