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CAS 112219-48-4 14,15-Didehydrovincamenine molecular structure lightbox
CAS RN: 112219-48-4

14,15-Didehydrovincamenine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS112219-48-4
  • Purity/Analytical Methods: >99.0%
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112219-48-4 / (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13,16-hexaene

Standard CAS: 112219-48-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112219-48-4
Multi CAS
Yes
Molecular Formula
C19H20N2
Molecular Weight
276.400000
Exact Mass
276.162649
SMILES
CC[C@@]12C=CCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C=C2
InChI
InChI=1S/C19H20N2/c1-2-19-9-5-11-20-12-8-15-14-6-3-4-7-16(14)21(13-10-19)17(15)18(19)20/h3-7,9-10,13,18H,2,8,11-12H2,1H3/t18-,19+/m1/s1
InChIKey
YGQJAUFBGGXCPP-MOPGFXCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.37
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
87.15
TPSA
8.17

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
3.6
Consensus LogP
3.7
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

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
4.5

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