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CAS 628703-31-1 Hydroxylamine, O-[(3,4-difluorophenyl)methyl]- (9CI) molecular structure lightbox
CAS RN: 628703-31-1

Hydroxylamine, O-[(3,4-difluorophenyl)methyl]- (9CI)

  • Product code: SSC-172248
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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: ≥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 628703-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

628703-31-1 / O-[(3,4-difluorophenyl)methyl]hydroxylamine

Standard CAS: 628703-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
628703-31-1
Multi CAS
No
Molecular Formula
C7F2H7NO
Molecular Weight
159.130000
Exact Mass
159.049570
InChI
InChI=1S/C7H7F2NO/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,10H2
InChIKey
JMDMKAAYVUMVCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.33
TPSA
35.25

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1
Consensus LogP
1.18
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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