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CAS 885270-32-6 1-(Bromomethyl)-3-chloro-5-methoxybenzene molecular structure lightbox
CAS RN: 885270-32-6

1-(Bromomethyl)-3-chloro-5-methoxybenzene

  • Product code: SSC-199296
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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: 1g
  • 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 885270-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

885270-32-6 / 1-(bromomethyl)-3-chloro-5-methoxybenzene

Standard CAS: 885270-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885270-32-6
Multi CAS
No
Molecular Formula
C8H8BRCLO
Molecular Weight
235.500000
Exact Mass
233.944710
InChI
InChI=1S/C8H8BrClO/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,5H2,1H3
InChIKey
NOYAZORDAAINEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.64
TPSA
9.23

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3.1
Consensus LogP
3.07
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

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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