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CAS 152340-37-9 Cucurbitacin V molecular structure lightbox
CAS RN: 152340-37-9

Cucurbitacin V

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS152340-37-9
  • Purity/Analytical Methods: >99.0%
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152340-37-9 / (3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

Standard CAS: 152340-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152340-37-9
Multi CAS
No
Molecular Formula
C30H48O5
Molecular Weight
488.700000
Exact Mass
488.350175
SMILES
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)[C@](C)(C/C=C/C(C)(C)O)O)O
InChI
InChI=1S/C30H48O5/c1-25(2,34)14-9-15-29(7,35)24-20(31)16-27(5)21-12-10-18-19(11-13-22(32)26(18,3)4)30(21,8)23(33)17-28(24,27)6/h9-10,14,19-22,24,31-32,34-35H,11-13,15-17H2,1-8H3/b14-9+/t19-,20-,21+,22+,24+,27+,28-,29+,30+/m1/s1
InChIKey
KIGLASXXBYITOY-UKVNNTPMSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
137.44
TPSA
97.99

LogP / Solubility

WLOGP
4.57
MLOGP
4.06
XLogP3
3.7
Consensus LogP
4.11
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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