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CAS 207273-84-5 1-Octadecanol CEP molecular structure lightbox
CAS RN: 207273-84-5

1-Octadecanol CEP

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS207273-84-5
  • Purity/Analytical Methods: >99.0%
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207273-84-5 / 3-[[di(propan-2-yl)amino]-octadecoxyphosphanyl]oxypropanenitrile

Standard CAS: 207273-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207273-84-5
Multi CAS
No
Molecular Formula
C27H55N2O2P
Molecular Weight
470.700000
Exact Mass
470.400116
SMILES
CCCCCCCCCCCCCCCCCCOP(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C27H55N2O2P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-30-32(31-25-22-23-28)29(26(2)3)27(4)5/h26-27H,6-22,24-25H2,1-5H3
InChIKey
KZQNEBQNUQNMRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.96
Rotatable bonds
24
H-bond acceptors
4
Molar refractivity
140.71
TPSA
45.49

LogP / Solubility

WLOGP
9.54
MLOGP
8.43
XLogP3
10.4
Consensus LogP
9.46
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-10.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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