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CAS 745017-94-1 MonoMethylauristatin F molecular structure lightbox
CAS RN: 745017-94-1

MonoMethylauristatin F

Product Availability

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9 package records9 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 100mg In stock Shanghai Inquiry
Batchno.20260405 10mg In stock Shanghai Inquiry
Batchno.20251120 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260512 1mg In stock Shanghai Inquiry
Batchno.20251024 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250505 2mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251110 50mg In stock Shanghai Inquiry
Batchno.20250529 5g In stock Shanghai Inquiry
Batchno.20260302 5mg In stock Shanghai Inquiry
  • Product code: SSC-183954
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 745017-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry

745017-94-1 / (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Standard CAS: 745017-94-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
745017-94-1
Multi CAS
Yes
Molecular Formula
C39H65N5O8
Molecular Weight
732.000000
Exact Mass
731.483314
InChI
InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1
InChIKey
MFRNYXJJRJQHNW-DEMKXPNLSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
21
H-bond acceptors
8
H-bond donors
4
Molar refractivity
200.29
TPSA
166.61

LogP / Solubility

WLOGP
3.1
MLOGP
2.8
XLogP3
2.1
Consensus LogP
2.67
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
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)
-4.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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