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CAS 601-97-8 3-hydroxyphthalic acid molecular structure lightbox
CAS RN: 601-97-8

3-hydroxyphthalic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250510 1g In stock Inquiry
Batchno.20260531 250mg In stock Inquiry
Batchno.20260224 5g In stock Inquiry
  • Product code: SSC-168682
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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 601-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

601-97-8 / 3-hydroxyphthalic acid

Standard CAS: 601-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
601-97-8
Multi CAS
Yes
Molecular Formula
C8H6O5
Molecular Weight
182.130000
Exact Mass
182.021523
InChI
InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey
MNUOZFHYBCRUOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
42.03
TPSA
94.83

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
1.1
Consensus LogP
0.86
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

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

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