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CAS 57327-92-1 (-)-DihydroapovincaMinic Acid Ethyl Ester molecular structure lightbox
CAS RN: 57327-92-1

(-)-DihydroapovincaMinic Acid Ethyl Ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS57327-92-1
  • Purity/Analytical Methods: >99.0%
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57327-92-1 / ethyl (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate

Standard CAS: 57327-92-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57327-92-1
Multi CAS
Yes
Molecular Formula
C22H28N2O2
Molecular Weight
352.500000
Exact Mass
352.215078
InChI
InChI=1S/C22H28N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,18,20H,3-4,7,10-14H2,1-2H3/t18-,20-,22+/m1/s1
InChIKey
UJAQRLRRCXIJFW-UZKOGDIHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
102.2
TPSA
34.47

LogP / Solubility

WLOGP
4.24
MLOGP
3.75
XLogP3
4
Consensus LogP
4
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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
Yes
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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