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CAS 65023-20-3 (4aS,6aR,6bS,10S,12aS,14aR,14bR)-Methyl 10-acetoxy-2,2,6a,6b,9,9,12a-heptaMethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate molecular structure lightbox
CAS RN: 65023-20-3

(4aS,6aR,6bS,10S,12aS,14aR,14bR)-Methyl 10-acetoxy-2,2,6a,6b,9,9,12a-heptaMethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate

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Batchno.20251024 50mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS65023-20-3
  • Purity/Analytical Methods: >99.0%
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65023-20-3 / methyl (4aS,6aR,6bS,10S,12aS,14aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,7,8,8a,10,11,12,14a,14b-dodecahydro-1H-picene-4a-carboxylate

Standard CAS: 65023-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65023-20-3
Multi CAS
Yes
Molecular Formula
C33H50O5
Molecular Weight
526.700000
Exact Mass
526.365825
InChI
InChI=1S/C33H50O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h18,21,23,25-26H,10-17,19H2,1-9H3/t21-,23?,25+,26+,30+,31-,32-,33+/m1/s1
InChIKey
MHESADREAJTXQD-DGYOQBDUSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
147
TPSA
69.67

LogP / Solubility

WLOGP
7.07
MLOGP
6.26
XLogP3
7.5
Consensus LogP
6.94
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.19
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)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9

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