CAS RN: 38908-87-1
(23R,24R)-16β,23-Epoxy-3β,24,25-trihydroxy-9β,19-cyclo-5α-lanostan-15-one
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS38908-87-1
- Purity/Analytical Methods: >99.0%
38908-87-1 / (1S,4R,5R,6R,8R,10R,12S,13R,16R,18S,21R)-8-[(1R)-1,2-dihydroxy-2-methylpropyl]-18-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-one
Basic Information
CAS
38908-87-1
Multi CAS
Yes
Molecular Formula
C30H48O5
Molecular Weight
488.700000
Exact Mass
488.350175
InChI
InChI=1S/C30H48O5/c1-16-14-17(23(32)26(4,5)34)35-22-21(16)27(6)12-13-30-15-29(30)11-10-20(31)25(2,3)18(29)8-9-19(30)28(27,7)24(22)33/h16-23,31-32,34H,8-15H2,1-7H3/t16-,17-,18+,19+,20+,21+,22-,23-,27-,28-,29-,30+/m1/s1
InChIKey
TVFYDIBVHPZYML-PIHBKODKSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.97
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
133.41
TPSA
86.99
LogP / Solubility
WLOGP
4.5
MLOGP
4
XLogP3
5.1
Consensus LogP
4.53
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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