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CAS 1193162-18-3 Methyl 4-broMo-2-fluoro-6-hydroxybenzoate molecular structure lightbox
CAS RN: 1193162-18-3

Methyl 4-broMo-2-fluoro-6-hydroxybenzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-019864
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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: 0.1g, 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 1193162-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

1193162-18-3 / methyl 4-bromo-2-fluoro-6-hydroxybenzoate

Methyl 4-bromo-2-fluoro-6-hydroxybenzoate | MFCD26391668 | Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, methyl ester

Standard CAS: 1193162-18-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1193162-18-3
Multi CAS
Yes
Molecular Formula
C8H6BrFO3
Molecular Weight
249.030000
Exact Mass
247.948430
SMILES
COC(=O)C1=C(C=C(C=C1F)Br)O
InChI
InChI=1S/C8H6BrFO3/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,11H,1H3
InChIKey
QXWLOFCMJIYTHD-UHFFFAOYSA-N
Synonyms
Methyl 4-bromo-2-fluoro-6-hydroxybenzoate MFCD26391668 Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, methyl ester SCHEMBL1041318 SCHEMBL29429473

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.1
TPSA
46.53

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
2.8
Consensus LogP
2.24
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.76

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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