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CAS 58755-91-2 2-(4-CHLORO-PHENYL)-SUCCINIC ACID molecular structure lightbox
CAS RN: 58755-91-2

2-(4-CHLORO-PHENYL)-SUCCINIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-167080
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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 58755-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

58755-91-2 / 2-(4-chlorophenyl)butanedioic acid

Standard CAS: 58755-91-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58755-91-2
Multi CAS
Yes
Molecular Formula
C10H9CLO4
Molecular Weight
228.630000
Exact Mass
228.018937
InChI
InChI=1S/C10H9ClO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
InChIKey
AGFXJIDIVHRKCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.08
TPSA
74.6

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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