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CAS 1007-57-4 2-ethoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane molecular structure lightbox
CAS RN: 1007-57-4

2-ethoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane

  • Product code: SSC-001377
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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: >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 1007-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1007-57-4 / 2-ethoxy-5,5-dimethyl-1,3,2-dioxaphosphinane

2-Ethoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane | 1,3,2-Dioxaphosphorinane, 2-ethoxy-5,5-dimethyl- | EINECS 213-757-9

Standard CAS: 1007-57-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1007-57-4
Multi CAS
Yes
Molecular Formula
C7H15O3P
Molecular Weight
178.170000
Exact Mass
178.075881
SMILES
CCOP1OCC(CO1)(C)C
InChI
InChI=1S/C7H15O3P/c1-4-8-11-9-5-7(2,3)6-10-11/h4-6H2,1-3H3
InChIKey
CNAJZRQKQRDTJQ-UHFFFAOYSA-N
Synonyms
2-Ethoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane 1,3,2-Dioxaphosphorinane, 2-ethoxy-5,5-dimethyl- EINECS 213-757-9 DTXSID5061403 RefChem:72190

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.23
TPSA
27.69

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
1.4
Consensus LogP
1.92
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.16

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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