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CAS 227783-08-6 (1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester molecular structure lightbox
CAS RN: 227783-08-6

(1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-110945
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 227783-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Hong Kong Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Hong Kong Inquiry
5g >98% 1 In Stock Beijing Inquiry
10g >98% 1 In Stock Hong Kong Inquiry

227783-08-6 / cis-(1S,3R)-3-ethoxycarbonylcyclohexane-1-carboxylic acid

Standard CAS: 227783-08-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227783-08-6
Multi CAS
No
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
SMILES
CCOC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O
InChI
InChI=1S/C10H16O4/c1-2-14-10(13)8-5-3-4-7(6-8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8+/m0/s1
InChIKey
WFXPHQCHMAPWEB-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.72
TPSA
63.6

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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