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CAS 14907-98-3 brusatol molecular structure lightbox
CAS RN: 14907-98-3

brusatol

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 100mg In stock Shandong Inquiry
Batchno.20250620 20mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250611 5mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 100mg In stock Shanghai Inquiry
Batchno.20260530 10mg In stock Shanghai Inquiry
Batchno.20250730 1mg In stock Shanghai Inquiry
Batchno.20250607 250mg In stock Shanghai Inquiry
Batchno.20250322 25mg In stock Shanghai Inquiry
Batchno.20250313 50mg In stock Shanghai Inquiry
Batchno.20250427 5mg In stock Shanghai Inquiry
  • Product code: SSC-059177
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14907-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

14907-98-3 / methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Standard CAS: 14907-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14907-98-3
Multi CAS
No
Molecular Formula
C26H32O11
Molecular Weight
520.500000
Exact Mass
520.194462
SMILES
CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O
InChI
InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
InChIKey
ZZZYHIMVKOHVIH-VILODJCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
3
Molar refractivity
122.48
TPSA
165.89

LogP / Solubility

WLOGP
0.52
MLOGP
0.49
XLogP3
0.9
Consensus LogP
0.64
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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