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CAS 3991-73-9 octyl dihydrogen phosphate molecular structure lightbox
CAS RN: 3991-73-9

octyl dihydrogen phosphate

  • Product code: SSC-147736
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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, 0.1g, 0.25g, 5g
  • Available purity: 97%
  • Inventory rows with stock: 1
  • 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 3991-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 97% 1 In Stock Shenzhen Inquiry
0.1g 97% 0 Out of Stock Shenzhen Inquiry
0.25g 97% 0 Out of Stock Beijing Inquiry
5g 97% 0 Out of Stock Beijing Inquiry

3991-73-9 / octyl dihydrogen phosphate

Standard CAS: 3991-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3991-73-9
Multi CAS
No
Molecular Formula
C8H19O4P
Molecular Weight
210.210000
Exact Mass
210.102096
InChI
InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
InChIKey
WRKCIHRWQZQBOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.37
TPSA
66.76

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.26

Drug-likeness / Medicinal Chemistry

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

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