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CAS 203849-91-6 MonoMethyl Dolastatin 10 molecular structure lightbox
CAS RN: 203849-91-6

MonoMethyl Dolastatin 10

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 100mg In stock Shanghai Inquiry
Batchno.20251203 10mg In stock Shanghai Inquiry
Batchno.20251111 1mg In stock Shanghai Inquiry
Batchno.20250419 250mg In stock Shanghai Inquiry
Batchno.20260127 25mg In stock Shanghai Inquiry
Batchno.20260617 50mg In stock Shanghai Inquiry
Batchno.20260423 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-095934
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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: 0.25g
  • 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 203849-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

203849-91-6 / (2S)-N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

Standard CAS: 203849-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203849-91-6
Multi CAS
No
Molecular Formula
C41H66N6O6S
Molecular Weight
771.100000
Exact Mass
770.476455
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC
InChI
InChI=1S/C41H66N6O6S/c1-12-27(6)36(46(9)41(51)35(26(4)5)45-39(50)34(42-8)25(2)3)32(52-10)24-33(48)47-21-16-19-31(47)37(53-11)28(7)38(49)44-30(40-43-20-22-54-40)23-29-17-14-13-15-18-29/h13-15,17-18,20,22,25-28,30-32,34-37,42H,12,16,19,21,23-24H2,1-11H3,(H,44,49)(H,45,50)/t27-,28+,30-,31-,32+,34-,35-,36-,37+/m0/s1
InChIKey
BLUGYPPOFIHFJS-UUFHNPECSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
11
Fraction Csp3
0.68
Rotatable bonds
21
H-bond acceptors
9
H-bond donors
3
Molar refractivity
213.72
TPSA
142.2

LogP / Solubility

WLOGP
4.85
MLOGP
4.33
XLogP3
5.3
Consensus LogP
4.83
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-9.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.98

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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