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CAS 61423-61-8 L-BETA,GAMMA-DIHEXADECYL-ALPHA-CEPHALIN molecular structure lightbox
CAS RN: 61423-61-8

L-BETA,GAMMA-DIHEXADECYL-ALPHA-CEPHALIN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS61423-61-8
  • Purity/Analytical Methods: >99.0%
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61423-61-8 / 2-aminoethyl 2,3-dihexadecoxypropyl hydrogen phosphate

Standard CAS: 61423-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61423-61-8
Multi CAS
Yes
Molecular Formula
C37H78NO6P
Molecular Weight
664.000000
Exact Mass
663.556676
InChI
InChI=1S/C37H78NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-41-35-37(36-44-45(39,40)43-34-31-38)42-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3,(H,39,40)/t37-/m1/s1
InChIKey
UXDBPOWEWOXJCE-DIPNUNPCSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
1
Rotatable bonds
39
H-bond acceptors
6
H-bond donors
2
Molar refractivity
191.97
TPSA
100.24

LogP / Solubility

WLOGP
11.44
MLOGP
10.13
XLogP3
11
Consensus LogP
10.86
Log S (ESOL)
-8.59
Class (ESOL)
Insoluble
Log S (Ali)
-13.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.35

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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