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CAS 75799-18-7 Presapogenin CP4 molecular structure lightbox
CAS RN: 75799-18-7

Presapogenin CP4

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS75799-18-7
  • Purity/Analytical Methods: >99.0%
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75799-18-7 / 10-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Standard CAS: 75799-18-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75799-18-7
Multi CAS
Yes
Molecular Formula
C46H74O15
Molecular Weight
867.100000
Exact Mass
866.502772
InChI
InChI=1S/C46H74O15/c1-22-30(49)35(60-37-33(52)31(50)25(47)20-56-37)34(53)38(58-22)61-36-32(51)26(48)21-57-39(36)59-29-12-13-43(6)27(42(29,4)5)11-14-45(8)28(43)10-9-23-24-19-41(2,3)15-17-46(24,40(54)55)18-16-44(23,45)7/h9,22,24-39,47-53H,10-21H2,1-8H3,(H,54,55)
InChIKey
QDYPTQWAAOGCJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Fraction Csp3
0.93
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
8
Molar refractivity
217.16
TPSA
234.29

LogP / Solubility

WLOGP
3.01
MLOGP
2.73
XLogP3
3.3
Consensus LogP
3.01
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.87

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
10

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