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CAS 3798-61-6 Benzenemethanol, a-ethynyl-4-fluoro- molecular structure lightbox
CAS RN: 3798-61-6

Benzenemethanol, a-ethynyl-4-fluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-145433
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3798-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Beijing Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

3798-61-6 / 1-(4-fluorophenyl)prop-2-yn-1-ol

Standard CAS: 3798-61-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3798-61-6
Multi CAS
No
Molecular Formula
C9FH7O
Molecular Weight
150.150000
Exact Mass
150.048093
InChI
InChI=1S/C9H7FO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H
InChIKey
JZJFKHHTWIWOOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.19
TPSA
20.23

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.58

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
2

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