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CAS 35833-62-6 Cabraleadiol 3-acetate molecular structure lightbox
CAS RN: 35833-62-6

Cabraleadiol 3-acetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS35833-62-6
  • Purity/Analytical Methods: >99.0%
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35833-62-6 / [17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Standard CAS: 35833-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35833-62-6
Multi CAS
Yes
Molecular Formula
C32H54O4
Molecular Weight
502.800000
Exact Mass
502.402210
InChI
InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32+/m1/s1
InChIKey
MYKPKZPRXSYQEQ-QCPMDXGFSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.97
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
143.36
TPSA
55.76

LogP / Solubility

WLOGP
7.31
MLOGP
6.47
XLogP3
7.8
Consensus LogP
7.19
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
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)
-0.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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