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CAS 1809336-93-3 Valemetostat tosylate molecular structure lightbox
CAS RN: 1809336-93-3

Valemetostat tosylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-082224
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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, 0.05g, 0.25g
  • Available purity: >98%
  • Inventory rows with stock: 1
  • 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 1809336-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Beijing Inquiry
0.05g >98% 0 Out of Stock Shanghai Inquiry
0.25g >98% 0 Out of Stock Shanghai Inquiry

1809336-93-3 / (2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;4-methylbenzenesulfonic acid

Standard CAS: 1809336-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1809336-93-3
Multi CAS
No
Molecular Formula
C33H42ClN3O7S
Molecular Weight
660.200000
Exact Mass
659.243200
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N(C)C)Cl)C
InChI
InChI=1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17?,18?,26-;/m1./s1
InChIKey
JSBKGJUYSLVFPF-RRKMXGHKSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
173.98
TPSA
138.03

LogP / Solubility

WLOGP
5.73
MLOGP
5.1
XLogP3
5.73
Consensus LogP
5.52
Log S (ESOL)
-7.45
Class (ESOL)
Insoluble
Log S (Ali)
-9.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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