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CAS 1159186-56-7 (3-BroMo-2,5-difluorophenyl)Methanol molecular structure lightbox
CAS RN: 1159186-56-7

(3-BroMo-2,5-difluorophenyl)Methanol

  • Product code: SSC-015712
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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 1159186-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1159186-56-7 / (3-bromo-2,5-difluorophenyl)methanol

(3-Bromo-2,5-difluorophenyl)methanol | MFCD27923603 | Benzenemethanol, 3-bromo-2,5-difluoro-

Standard CAS: 1159186-56-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159186-56-7
Multi CAS
No
Molecular Formula
C7H5BrF2O
Molecular Weight
223.010000
Exact Mass
221.949180
SMILES
C1=C(C=C(C(=C1CO)F)Br)F
InChI
InChI=1S/C7H5BrF2O/c8-6-2-5(9)1-4(3-11)7(6)10/h1-2,11H,3H2
InChIKey
MHTYZAZJJICWHX-UHFFFAOYSA-N
Synonyms
(3-Bromo-2,5-difluorophenyl)methanol MFCD27923603 Benzenemethanol, 3-bromo-2,5-difluoro- 3-Bromo-2,5-difluorobenzyl alcohol SCHEMBL332293

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.98
TPSA
20.23

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.5

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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