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CAS 47132-19-4 5H-Dibenzo(A,D)cyclohepten-10-ol, 10,11-dihydro-5-(3-(methylamino)propylidene)-, (Z)- molecular structure lightbox
CAS RN: 47132-19-4

5H-Dibenzo(A,D)cyclohepten-10-ol, 10,11-dihydro-5-(3-(methylamino)propylidene)-, (Z)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS47132-19-4
  • Purity/Analytical Methods: >99.0%
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47132-19-4 / 2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol

Standard CAS: 47132-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
47132-19-4
Multi CAS
Yes
Molecular Formula
C19H21NO
Molecular Weight
279.400000
Exact Mass
279.162314
InChI
InChI=1S/C19H21NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11-
InChIKey
VAGXZGJKNUNLHK-WJDWOHSUSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
87.17
TPSA
32.26

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
3.4
Consensus LogP
3.22
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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