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CAS 19545-26-7 Wortmannin molecular structure lightbox
CAS RN: 19545-26-7

Wortmannin

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260417 10mg In stock Shanghai Inquiry
Batchno.20250627 1mg / 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20251016 250mg Out of stock Inquiry
Batchno.20250425 25mg Out of stock Inquiry
Batchno.20250329 50mg In stock Shanghai Inquiry
  • Product code: ICTW0007
  • Purity/Analytical Methods: >98.0%(HPLC)
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19545-26-7 / [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

Standard CAS: 19545-26-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19545-26-7
Multi CAS
No
Molecular Formula
C23H24O8
Molecular Weight
428.400000
Exact Mass
428.147118
SMILES
CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
InChI
InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
InChIKey
QDLHCMPXEPAAMD-QAIWCSMKSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
104.51
TPSA
109.11

LogP / Solubility

WLOGP
2.54
MLOGP
2.26
XLogP3
1.2
Consensus LogP
2
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501

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