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CAS 471-69-2 DIPTEROCARPOL molecular structure lightbox
CAS RN: 471-69-2

DIPTEROCARPOL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS471-69-2
  • Purity/Analytical Methods: >99.0%
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471-69-2 / (5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 471-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
471-69-2
Multi CAS
Yes
Molecular Formula
C30H50O2
Molecular Weight
442.700000
Exact Mass
442.381081
InChI
InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28-,29-,30+/m1/s1
InChIKey
NJICGAVMYWKCMW-GWJXCKMPSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
133.29
TPSA
37.3

LogP / Solubility

WLOGP
7.74
MLOGP
6.84
XLogP3
8.2
Consensus LogP
7.59
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
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)
0.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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