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CAS 132539-06-1 Olanzapine molecular structure lightbox
CAS RN: 132539-06-1

Olanzapine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 100g In stock Shanghai Inquiry
Batchno.20250812 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260622 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250916 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: ICTO0393
  • Purity/Analytical Methods: >98.0%(GC)(T)
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132539-06-1 / 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

Standard CAS: 132539-06-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
132539-06-1
Multi CAS
No
Molecular Formula
C17H20N4S
Molecular Weight
312.400000
Exact Mass
312.140868
SMILES
CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
InChI
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
InChIKey
KVWDHTXUZHCGIO-UHFFFAOYSA-N

Physical Properties

Melting Point
189-195 °C 195 °C
Physical Description
Solid
Appearance
Yellow crystalline solid Crystals from acetonitrile
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
94.05
TPSA
30.87

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
2.9
Consensus LogP
3.13
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (31.1%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (75.4%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (26.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H336 (16.4%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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