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CAS 719300-59-1 N-Chloromethyl Olanzapine Chloride molecular structure lightbox
CAS RN: 719300-59-1

N-Chloromethyl Olanzapine Chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 25mg / 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINN856609
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719300-59-1 / 4-[4-(chloromethyl)-4-methylpiperazin-4-ium-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine chloride

Standard CAS: 719300-59-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
719300-59-1
Multi CAS
Yes
Molecular Formula
C18H22CL2N4S
Molecular Weight
397.400000
Exact Mass
396.094223
InChI
InChI=1S/C18H22ClN4S.ClH/c1-13-11-14-17(22-7-9-23(2,12-19)10-8-22)20-15-5-3-4-6-16(15)21-18(14)24-13;/h3-6,11,21H,7-10,12H2,1-2H3;1H/q+1;/p-1
InChIKey
OAWSYANWHZMKRV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.39
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.19
TPSA
27.63

LogP / Solubility

WLOGP
1.15
MLOGP
1.04
XLogP3
1.15
Consensus LogP
1.11
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32

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
3

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