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CAS 4295-65-2 2-CHLORO-9-(3-(DIMETHYLAMINO)PROPYL)-TH& molecular structure lightbox
CAS RN: 4295-65-2

2-CHLORO-9-(3-(DIMETHYLAMINO)PROPYL)-TH&

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS4295-65-2
  • Purity/Analytical Methods: >99.0%
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4295-65-2 / 2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol

Standard CAS: 4295-65-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4295-65-2
Multi CAS
Yes
Molecular Formula
C18H20CLNOS
Molecular Weight
333.900000
Exact Mass
333.095413
InChI
InChI=1S/C18H20ClNOS/c1-20(2)11-5-10-18(21)14-6-3-4-7-16(14)22-17-9-8-13(19)12-15(17)18/h3-4,6-9,12,21H,5,10-11H2,1-2H3
InChIKey
YJINNJOMTOJZBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.8
TPSA
23.47

LogP / Solubility

WLOGP
4.38
MLOGP
3.87
XLogP3
4.1
Consensus LogP
4.12
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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