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CAS 808127-75-5 1H-Isoindol-1-one, 4-broMo-2,3-dihydro-6-Methoxy- molecular structure lightbox
CAS RN: 808127-75-5

1H-Isoindol-1-one, 4-broMo-2,3-dihydro-6-Methoxy-

  • Product code: SSC-189456
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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: 0.25g
  • 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 808127-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

808127-75-5 / 4-bromo-6-methoxy-2,3-dihydroisoindol-1-one

Standard CAS: 808127-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
808127-75-5
Multi CAS
Yes
Molecular Formula
BC9H8O2Rn
Molecular Weight
242.070000
Exact Mass
240.973840
InChI
InChI=1S/C9H8BrNO2/c1-13-5-2-6-7(8(10)3-5)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
VIQFTBKHVUBFJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.86
TPSA
38.33

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.99

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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