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CAS 1149388-19-1 4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester molecular structure lightbox
CAS RN: 1149388-19-1

4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-014639
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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: 1g
  • Available purity: ≥95%
  • 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 1149388-19-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1149388-19-1 / methyl 4-bromo-3-hydroxy-2-methylbenzoate

methyl 4-bromo-3-hydroxy-2-methylbenzoate | MFCD26389396 | 4-Bromo-3-hydroxy-2-methylbenzoic acid methyl ester

Standard CAS: 1149388-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1149388-19-1
Multi CAS
No
Molecular Formula
C9H9BrO3
Molecular Weight
245.070000
Exact Mass
243.973510
SMILES
CC1=C(C=CC(=C1O)Br)C(=O)OC
InChI
InChI=1S/C9H9BrO3/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,11H,1-2H3
InChIKey
KJQPVKLURCKVPY-UHFFFAOYSA-N
Synonyms
methyl 4-bromo-3-hydroxy-2-methylbenzoate MFCD26389396 4-Bromo-3-hydroxy-2-methylbenzoic acid methyl ester SCHEMBL979279 KJQPVKLURCKVPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.88
TPSA
46.53

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.5
Consensus LogP
2.25
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.62

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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