CAS RN: 441045-17-6

Eribulin Mesylate

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 100mg In stock Shanghai Inquiry
Batchno.20260322 10mg In stock Shanghai Inquiry
Batchno.20250817 1mg In stock Shanghai Inquiry
Batchno.20260612 25mg In stock Shanghai Inquiry
Batchno.20250215 50mg In stock Shanghai Inquiry
Batchno.20260104 5mg In stock Shanghai Inquiry
  • Product code: SSC-152141
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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 441045-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

441045-17-6 / (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one;methanesulfonic acid

Standard CAS: 441045-17-6 Multi CAS: Yes

Basic Information

CAS
441045-17-6
Multi CAS
Yes
Molecular Formula
C41H63NO14S
Molecular Weight
826.000000
Exact Mass
825.396927
InChI
InChI=1S/C40H59NO11.CH4O3S/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41;1-5(2,3)4/h19,23-39,43H,2-3,5-18,41H2,1,4H3;1H3,(H,2,3,4)/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+;/m1./s1
InChIKey
QAMYWGZHLCQOOJ-WRNBYXCMSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
14
H-bond donors
3
Molar refractivity
203.74
TPSA
200.76

LogP / Solubility

WLOGP
2.94
MLOGP
2.66
XLogP3
2.94
Consensus LogP
2.85
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.67

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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