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CAS 1011-85-4 1s,4s)-4-(Methoxycarbonyl)cyclohexanecarboxylic acid molecular structure lightbox
CAS RN: 1011-85-4

1s,4s)-4-(Methoxycarbonyl)cyclohexanecarboxylic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260120 1g In stock Inquiry
Batchno.20251008 250mg In stock Inquiry
Batchno.20260126 25g In stock Inquiry
Batchno.20250917 5g In stock Inquiry
  • Product code: SSC-001974
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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, 5g, 10g, 25g
  • 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 1011-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

1011-85-4 / 4-methoxycarbonylcyclohexane-1-carboxylic acid

4-(methoxycarbonyl)cyclohexane-1-carboxylic acid | (1r,4r)-4-(methoxycarbonyl)cyclohexanecarboxylic acid | Monomethyl trans-1,4-Cyclohexanedicarboxylate

Standard CAS: 1011-85-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1011-85-4
Multi CAS
Yes
Molecular Formula
C9H14O4
Molecular Weight
186.200000
Exact Mass
186.089209
SMILES
COC(=O)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C9H14O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
ZQJNPHCQABYENK-UHFFFAOYSA-N
Synonyms
4-(methoxycarbonyl)cyclohexane-1-carboxylic acid (1r,4r)-4-(methoxycarbonyl)cyclohexanecarboxylic acid Monomethyl trans-1,4-Cyclohexanedicarboxylate DTXSID00905945 RefChem:516260

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.1
TPSA
63.6

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] 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
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501

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