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CAS 35638-19-8 6,6-BIS(4-CARBOXY-2-OXABUTYL)-4,8-DIOXAUNDECANE-1, 11-DICARBOXYLIC ACID molecular structure lightbox
CAS RN: 35638-19-8

6,6-BIS(4-CARBOXY-2-OXABUTYL)-4,8-DIOXAUNDECANE-1, 11-DICARBOXYLIC ACID

  • Product code: SSC-142663
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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
  • Available purity: ≥97%
  • 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 35638-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

35638-19-8 / 3-[3-(2-carboxyethoxy)-2,2-bis(2-carboxyethoxymethyl)propoxy]propanoic acid

Standard CAS: 35638-19-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35638-19-8
Multi CAS
Yes
Molecular Formula
C17H28O12
Molecular Weight
424.400000
Exact Mass
424.158076
InChI
InChI=1S/C17H28O12/c18-13(19)1-5-26-9-17(10-27-6-2-14(20)21,11-28-7-3-15(22)23)12-29-8-4-16(24)25/h1-12H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKey
KIGSIPUDIPIMRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.76
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
4
Molar refractivity
94.72
TPSA
186.12

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.03
XLogP3
-2.3
Consensus LogP
-0.8
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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