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CAS 10388-48-4 9,19-Cyclo-5α-lanost-25-ene-3β,24-diol molecular structure lightbox
CAS RN: 10388-48-4

9,19-Cyclo-5α-lanost-25-ene-3β,24-diol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS10388-48-4
  • Purity/Analytical Methods: >99.0%
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10388-48-4 / (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol | (1S,3R,6S,8R,11S,12S,15R,16R)-15-((2R)-5-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo(9.7.0.01,3.03,8.012,16)octadecan-6-ol | RefChem:1049448

Standard CAS: 10388-48-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10388-48-4
Multi CAS
Yes
Molecular Formula
C30H50O2
Molecular Weight
442.700000
Exact Mass
442.381081
SMILES
C[C@H](CCC(C(=C)C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI
InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey
MHGLNDDJLDJDBG-GSYFYXRESA-N
Synonyms
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol (1S,3R,6S,8R,11S,12S,15R,16R)-15-((2R)-5-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo(9.7.0.01,3.03,8.012,16)octadecan-6-ol RefChem:1049448 (1R,3aS,3bS,5aR,7S,91R,101S,12aR)-1-((2R)-5-hydroxy-6-methylhept-6-en-2-yl)-3a,6,6,12a-tetramethylhexadecahydrocyclopenta(a)cyclopropa(e)phenanthren-7-ol Cycloart-25-ene-3,24-diol

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
132.11
TPSA
40.46

LogP / Solubility

WLOGP
7.14
MLOGP
6.31
XLogP3
8.6
Consensus LogP
7.35
Log S (ESOL)
-6.75
Class (ESOL)
Insoluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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)
-0.35

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
10

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