[email protected]
CAS 699-90-1 3-FLUORO-2-METHYLBENZOIC ACID molecular structure lightbox
CAS RN: 699-90-1

3-FLUORO-2-METHYLBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-179679
GET A QUOTE
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, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 699-90-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 4 In Stock Hong Kong Inquiry
10g >98% 1 In Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry

699-90-1 / 3-fluoro-2-methylbenzoic acid

Standard CAS: 699-90-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
699-90-1
Multi CAS
Yes
Molecular Formula
C8FH7O2
Molecular Weight
154.140000
Exact Mass
154.043008
InChI
InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
XMKZAIHFVHJGPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.1
TPSA
37.3

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.9
Consensus LogP
1.78
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.36

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us