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CAS 3971-31-1 1,3-Cyclohexanedicarboxylic Acid (cis- and trans- mixture) molecular structure lightbox
CAS RN: 3971-31-1

1,3-Cyclohexanedicarboxylic Acid (cis- and trans- mixture)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251028 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250222 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260526 500g In stock Shanghai Inquiry
Batchno.20250508 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-147426
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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, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 3971-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 4 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

3971-31-1 / cyclohexane-1,3-dicarboxylic acid

Standard CAS: 3971-31-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3971-31-1
Multi CAS
Yes
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
InChI
InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey
XBZSBBLNHFMTEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.72
TPSA
74.6

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
0.7
Consensus LogP
0.83
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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