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CAS 162401-62-9 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid molecular structure lightbox
CAS RN: 162401-62-9

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 100g In stock Shanghai Inquiry
Batchno.20251002 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260418 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260508 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250926 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251229 500g In stock Shanghai Inquiry
Batchno.20250827 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-069941
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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: 10g
  • 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 162401-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

162401-62-9 / 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid

Standard CAS: 162401-62-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
162401-62-9
Multi CAS
No
Molecular Formula
C12H12F2O4
Molecular Weight
258.220000
Exact Mass
258.070365
SMILES
C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F
InChI
InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16)
InChIKey
IGFDIFLMMLWKKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.25
TPSA
55.76

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
3.3
Consensus LogP
2.84
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-2.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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