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CAS 1375064-52-0 4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid molecular structure lightbox
CAS RN: 1375064-52-0

4-[3-(Methoxycarbonyl)-5-isoxazolyl]benzoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-047150
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1375064-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry

1375064-52-0 / 4-(3-methoxycarbonyl-1,2-oxazol-5-yl)benzoic acid

Standard CAS: 1375064-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-52-0
Multi CAS
No
Molecular Formula
C12H9NO5
Molecular Weight
247.200000
Exact Mass
247.048072
SMILES
COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H9NO5/c1-17-12(16)9-6-10(18-13-9)7-2-4-8(5-3-7)11(14)15/h2-6H,1H3,(H,14,15)
InChIKey
YGJBDODYBMPATP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.24
TPSA
89.63

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

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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