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CAS 67812-33-3 (4R,5R)-5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid molecular structure lightbox
CAS RN: 67812-33-3

(4R,5R)-5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

  • Product code: SSC-177572
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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 67812-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

67812-33-3 / 5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

Standard CAS: 67812-33-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67812-33-3
Multi CAS
Yes
Molecular Formula
C8H12O6
Molecular Weight
204.180000
Exact Mass
204.063388
InChI
InChI=1S/C8H12O6/c1-8(2)13-4(6(9)10)5(14-8)7(11)12-3/h4-5H,1-3H3,(H,9,10)/t4-,5-/m1/s1
InChIKey
QDCLIEXYHDLWGC-RFZPGFLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.48
TPSA
82.06

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
Consensus LogP
-0.15
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13

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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