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CAS 52483-84-8 4-Nitrophenyl phosphate bis(cyclohexylammonium) salt molecular structure lightbox
CAS RN: 52483-84-8

4-Nitrophenyl phosphate bis(cyclohexylammonium) salt

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250601 25g In stock Shanghai Inquiry
Batchno.20251030 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260623 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS52483-84-8
  • Purity/Analytical Methods: >99.0%
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52483-84-8 / bis(cyclohexanamine);(3-nitrophenyl) dihydrogen phosphate

Standard CAS: 52483-84-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52483-84-8
Multi CAS
Yes
Molecular Formula
C18H32N3O6P
Molecular Weight
417.400000
Exact Mass
417.202873
InChI
InChI=1S/C6H6NO6P.2C6H13N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*7-6-4-2-1-3-5-6/h1-4H,(H2,10,11,12);2*6H,1-5,7H2
InChIKey
KXNNUYCXODNFBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
107.89
TPSA
161.94

LogP / Solubility

WLOGP
3.62
MLOGP
3.21
XLogP3
3.62
Consensus LogP
3.48
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69

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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