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CAS 110706-50-8 DIMETHY-4-FLUOROPHTHALATE molecular structure lightbox
CAS RN: 110706-50-8

DIMETHY-4-FLUOROPHTHALATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260627 1g In stock Inquiry
Batchno.20250324 250mg In stock Inquiry
Batchno.20251124 5g In stock Inquiry
  • Product code: SSC-011679
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 110706-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Beijing Inquiry

110706-50-8 / dimethyl 4-fluorobenzene-1,2-dicarboxylate

Dimethyl 4-fluorobenzene-1,2-dicarboxylate | DTXSID90628010 | RefChem:338610

Standard CAS: 110706-50-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110706-50-8
Multi CAS
Yes
Molecular Formula
C10H9FO4
Molecular Weight
212.170000
Exact Mass
212.048487
SMILES
COC(=O)C1=C(C=C(C=C1)F)C(=O)OC
InChI
InChI=1S/C10H9FO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3
InChIKey
UPXQAPWOMHKSBU-UHFFFAOYSA-N
Synonyms
Dimethyl 4-fluorobenzene-1,2-dicarboxylate DTXSID90628010 RefChem:338610 DTXCID90578763 Dimethyl 4-fluorophthalate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.08
TPSA
52.6

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.7
Consensus LogP
1.44
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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