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CAS 88335-86-8 (1R,2S)-2-methoxycarbonylcyclopropane-1-carboxylic acid molecular structure lightbox
CAS RN: 88335-86-8

(1R,2S)-2-methoxycarbonylcyclopropane-1-carboxylic acid

  • Product code: SSC-198909
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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, 1g, 5g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 88335-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

88335-86-8 / 2-methoxycarbonylcyclopropane-1-carboxylic acid

Standard CAS: 88335-86-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88335-86-8
Multi CAS
Yes
Molecular Formula
C6H8O4
Molecular Weight
144.120000
Exact Mass
144.042259
InChI
InChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m1/s1
InChIKey
IRRAJLZEAOBJIV-DMTCNVIQSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.25
TPSA
63.6

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.3
Consensus LogP
-0.18
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.68

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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