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CAS 1070795-38-8 5-Bromo-2-ethoxyanisole molecular structure lightbox
CAS RN: 1070795-38-8

5-Bromo-2-ethoxyanisole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008520
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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 1070795-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1070795-38-8 / 4-bromo-1-ethoxy-2-methoxybenzene

5-bromo-2-ethoxyanisole | 4-bromo-1-ethoxy-2-methoxybenzene | MFCD18837618

Standard CAS: 1070795-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1070795-38-8
Multi CAS
No
Molecular Formula
C9H11BrO2
Molecular Weight
231.090000
Exact Mass
229.994240
SMILES
CCOC1=C(C=C(C=C1)Br)OC
InChI
InChI=1S/C9H11BrO2/c1-3-12-8-5-4-7(10)6-9(8)11-2/h4-6H,3H2,1-2H3
InChIKey
BGECZFRMXAHTGH-UHFFFAOYSA-N
Synonyms
5-bromo-2-ethoxyanisole 4-bromo-1-ethoxy-2-methoxybenzene MFCD18837618 1-Bromo-4-ethoxy-3-methoxybenzene SCHEMBL1098562

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.86
TPSA
18.46

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-2.1

Drug-likeness / Medicinal Chemistry

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

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