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CAS 38748-32-2 Triptolide molecular structure lightbox
CAS RN: 38748-32-2

Triptolide

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260629 10mg In stock Shanghai Inquiry
Batchno.20250327 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251009 1mg Out of stock Inquiry
Batchno.20250610 250mg In stock Shanghai Inquiry
Batchno.20250723 25mg In stock Shanghai Inquiry
Batchno.20250326 50mg In stock Shanghai Inquiry
  • Product code: ICTT2899
  • Purity/Analytical Methods: >98.0%(HPLC)
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38748-32-2 / (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one

Standard CAS: 38748-32-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
38748-32-2
Multi CAS
No
Molecular Formula
C20H24O6
Molecular Weight
360.400000
Exact Mass
360.157288
SMILES
CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C
InChI
InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
InChIKey
DFBIRQPKNDILPW-CIVMWXNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.09
TPSA
84.12

LogP / Solubility

WLOGP
1.1
MLOGP
0.99
XLogP3
0.2
Consensus LogP
0.76
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H300+H330 (25%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation] H300 (62.5%): Fatal if swallowed [Danger Acute toxicity, oral] H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral] H330 (37.5%): Fatal if inhaled [Danger Acute toxicity, inhalation] H361 (12.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P264, P270, P271, P280, P284, P301+P316, P304+P340, P316, P318, P320, P321, P330, P403+P233, P405, and P501

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