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CAS 15575-04-9 DECAPRENOL molecular structure lightbox
CAS RN: 15575-04-9

DECAPRENOL

  • Product code: SSC-065012
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15575-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

15575-04-9 / (2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol

Standard CAS: 15575-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15575-04-9
Multi CAS
No
Molecular Formula
C50H82O
Molecular Weight
699.200000
Exact Mass
698.636567
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C50H82O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h21,23,25,27,29,31,33,35,37,39,51H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37+,50-39+
InChIKey
RORDEOUGMCQERP-CMVHWAPMSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.6
Rotatable bonds
28
H-bond acceptors
1
H-bond donors
1
Molar refractivity
233.44
TPSA
20.23

LogP / Solubility

WLOGP
16.48
MLOGP
14.57
XLogP3
17.8
Consensus LogP
16.28
Log S (ESOL)
-12.71
Class (ESOL)
Insoluble
Log S (Ali)
-17.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.25
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.72

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
4

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