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CAS 911208-73-6 3-(Hexadecyloxy)propyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonat molecular structure lightbox
CAS RN: 911208-73-6

3-(Hexadecyloxy)propyl hydrogen ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonat

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS911208-73-6
  • Purity/Analytical Methods: >99.0%
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911208-73-6 / [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid

Standard CAS: 911208-73-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
911208-73-6
Multi CAS
Yes
Molecular Formula
C28H52N5O5P
Molecular Weight
569.700000
Exact Mass
569.370607
InChI
InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
InChIKey
SCTJKHUUZLXJIP-RUZDIDTESA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
9
Fraction Csp3
0.82
Rotatable bonds
25
H-bond acceptors
9
H-bond donors
2
Molar refractivity
156.67
TPSA
134.61

LogP / Solubility

WLOGP
6.86
MLOGP
6.08
XLogP3
6.7
Consensus LogP
6.55
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-9.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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