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CAS 6191-97-5 3,3-DIETHOXY-PROPIONIC ACID molecular structure lightbox
CAS RN: 6191-97-5

3,3-DIETHOXY-PROPIONIC ACID

  • Product code: SSC-170925
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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: 1g, 5g, 10g, 0.1g, 0.25g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 6191-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Hong Kong Inquiry
5g >95% 4 In Stock Beijing Inquiry
10g >95% 4 In Stock Shenzhen Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
25g >95% 3 In Stock Beijing Inquiry
100g >95% 2 In Stock Shenzhen Inquiry

6191-97-5 / 3,3-diethoxypropanoic acid

Standard CAS: 6191-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6191-97-5
Multi CAS
No
Molecular Formula
C7H14O4
Molecular Weight
162.180000
Exact Mass
162.089209
InChI
InChI=1S/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKey
AKTDHHFJFNIILG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.29
TPSA
55.76

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.3
Consensus LogP
0.64
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-3.1

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

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