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CAS 19132-81-1 Ursolic aldehyde molecular structure lightbox
CAS RN: 19132-81-1

Ursolic aldehyde

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 25mg In stock Shanghai Inquiry
Batchno.20251013 5mg Out of stock Inquiry
Batchno.20250123 5mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS19132-81-1
  • Purity/Analytical Methods: >99.0%
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19132-81-1 / (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbaldehyde

Standard CAS: 19132-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19132-81-1
Multi CAS
No
Molecular Formula
C30H48O2
Molecular Weight
440.700000
Exact Mass
440.365431
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C=O
InChI
InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChIKey
VLFUANNVMXKBPF-ZAPOICBTSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
131.04
TPSA
37.3

LogP / Solubility

WLOGP
7.2
MLOGP
6.37
XLogP3
7.3
Consensus LogP
6.96
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-8.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
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)
-0.29

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
8.5

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