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CAS 10487-05-5 DL-Glyceraldehyde Diethyl Acetal molecular structure lightbox
CAS RN: 10487-05-5

DL-Glyceraldehyde Diethyl Acetal

  • Product code: SSC-006594
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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 10487-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

10487-05-5 / 3,3-diethoxypropane-1,2-diol

3,3-Diethoxy-1,2-propanediol | RefChem:910551 | 3,3-diethoxypropane-1,2-diol

Standard CAS: 10487-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10487-05-5
Multi CAS
No
Molecular Formula
C7H16O4
Molecular Weight
164.200000
Exact Mass
164.104859
SMILES
CCOC(C(CO)O)OCC
InChI
InChI=1S/C7H16O4/c1-3-10-7(11-4-2)6(9)5-8/h6-9H,3-5H2,1-2H3
InChIKey
BPNZBKXZVJVEJD-UHFFFAOYSA-N
Synonyms
3,3-Diethoxy-1,2-propanediol RefChem:910551 3,3-diethoxypropane-1,2-diol DL-Glyceraldehyde Diethyl Acetal MFCD00059599

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.13
TPSA
58.92

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.23
XLogP3
-0.5
Consensus LogP
-0.33
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-3.91

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
2

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