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CAS 1127-08-8 CYCLOHEXANE-1,1-DICARBOXYLIC ACID molecular structure lightbox
CAS RN: 1127-08-8

CYCLOHEXANE-1,1-DICARBOXYLIC ACID

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250520 10g In stock Shanghai Inquiry
Batchno.20250203 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250722 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250112 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-013039
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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: 5g
  • 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 1127-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1127-08-8 / cyclohexane-1,1-dicarboxylic acid

Cyclohexane-1,1-dicarboxylic acid | 1,1-cyclohexanedicarboxylic acid | L4CNN75YH2

Standard CAS: 1127-08-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1127-08-8
Multi CAS
No
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
SMILES
C1CCC(CC1)(C(=O)O)C(=O)O
InChI
InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12)
InChIKey
QYQADNCHXSEGJT-UHFFFAOYSA-N
Synonyms
Cyclohexane-1,1-dicarboxylic acid 1,1-cyclohexanedicarboxylic acid L4CNN75YH2 4,4'-CYCLOHEXANOIC ACID DTXSID40150139

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
40.79
TPSA
74.6

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.5
Consensus LogP
1.19
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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