[email protected]
CAS 1192347-87-7 4-Fluoro-3-(methylsulfonyl)benzenemethanol molecular structure lightbox
CAS RN: 1192347-87-7

4-Fluoro-3-(methylsulfonyl)benzenemethanol

  • Product code: SSC-019741
GET A QUOTE
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
Request Bulk Quote

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 1192347-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1192347-87-7 / (4-fluoro-3-methylsulfonylphenyl)methanol

4-Fluoro-3-(methylsulfonyl)benzyl alcohol | 4-fluoro-3-(methylsulfonyl)Benzenemethanol | DTXSID201268613

Standard CAS: 1192347-87-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192347-87-7
Multi CAS
No
Molecular Formula
C8H9FO3S
Molecular Weight
204.220000
Exact Mass
204.025643
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)CO)F
InChI
InChI=1S/C8H9FO3S/c1-13(11,12)8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKey
CWRDDRJVAVOIKJ-UHFFFAOYSA-N
Synonyms
4-Fluoro-3-(methylsulfonyl)benzyl alcohol 4-fluoro-3-(methylsulfonyl)Benzenemethanol DTXSID201268613 RefChem:523170 DTXCID701699241

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.43
TPSA
54.37

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
0.4
Consensus LogP
0.59
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-3.45

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us