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CAS 1093865-65-6 Methyl 4-fluoro-3-forMylbenzoate molecular structure lightbox
CAS RN: 1093865-65-6

Methyl 4-fluoro-3-forMylbenzoate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260603 1g In stock Shanghai Inquiry
Batchno.20250818 250mg In stock Shanghai Inquiry
Batchno.20260606 25g In stock Shanghai Inquiry
Batchno.20250708 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-010663
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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, 5g, 0.25g, 10g, 25g
  • Available purity: >97%
  • 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 1093865-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g -- 1 In Stock Hong Kong Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1093865-65-6 / methyl 4-fluoro-3-formylbenzoate

METHYL 4-FLUORO-3-FORMYLBENZOATE | DTXSID80697533 | RefChem:355711

Standard CAS: 1093865-65-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1093865-65-6
Multi CAS
Yes
Molecular Formula
C9H7FO3
Molecular Weight
182.150000
Exact Mass
182.037922
SMILES
COC(=O)C1=CC(=C(C=C1)F)C=O
InChI
InChI=1S/C9H7FO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,1H3
InChIKey
VJWHOSFTDOXSAS-UHFFFAOYSA-N
Synonyms
METHYL 4-FLUORO-3-FORMYLBENZOATE DTXSID80697533 RefChem:355711 DTXCID80648282 960-928-5

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.13
TPSA
43.37

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.82

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
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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