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CAS 98683-75-1 3β,15α-Dihydroxy-11,23-dioxo-5α-lanost-8-en-26-oic acid molecular structure lightbox
CAS RN: 98683-75-1

3β,15α-Dihydroxy-11,23-dioxo-5α-lanost-8-en-26-oic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS98683-75-1
  • Purity/Analytical Methods: >99.0%
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98683-75-1 / (6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

Standard CAS: 98683-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98683-75-1
Multi CAS
Yes
Molecular Formula
C30H46O6
Molecular Weight
502.700000
Exact Mass
502.329439
InChI
InChI=1S/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,23+,24+,28+,29-,30-/m1/s1
InChIKey
YPYHGMCHNBTMDB-GOGDEKJESA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
137.04
TPSA
111.9

LogP / Solubility

WLOGP
4.95
MLOGP
4.39
XLogP3
3.8
Consensus LogP
4.38
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9

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