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CAS 2627-35-2 Dodecyl dihydrogen phosphate molecular structure lightbox
CAS RN: 2627-35-2

Dodecyl dihydrogen phosphate

  • Product code: SSC-123583
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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 2627-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2627-35-2 / dodecyl dihydrogen phosphate

Standard CAS: 2627-35-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2627-35-2
Multi CAS
No
Molecular Formula
C12H27O4P
Molecular Weight
266.310000
Exact Mass
266.164696
SMILES
CCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChIKey
TVACALAUIQMRDF-UHFFFAOYSA-N

Physical Properties

Physical Description
White odorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.84
TPSA
66.76

LogP / Solubility

WLOGP
4.02
MLOGP
3.54
XLogP3
4
Consensus LogP
3.85
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

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)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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