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CAS 371980-98-2 7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-olhydrochloride molecular structure lightbox
CAS RN: 371980-98-2

7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-olhydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS371980-98-2
  • Purity/Analytical Methods: >99.0%
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371980-98-2 / (5S,7S)-7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

Standard CAS: 371980-98-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
371980-98-2
Multi CAS
Yes
Molecular Formula
C24H29CL2NO
Molecular Weight
418.400000
Exact Mass
417.162620
InChI
InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1
InChIKey
OHRDCQFCAWLDBP-SBUREZEXSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
117.44
TPSA
23.47

LogP / Solubility

WLOGP
6.17
MLOGP
5.45
XLogP3
6
Consensus LogP
5.87
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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