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CAS 347887-36-9 Fedovapagon molecular structure lightbox
CAS RN: 347887-36-9

Fedovapagon

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Batchno.20260607 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS347887-36-9
  • Purity/Analytical Methods: >99.0%
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347887-36-9 / (2S)-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide

Standard CAS: 347887-36-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
347887-36-9
Multi CAS
Yes
Molecular Formula
C27H34N4O3
Molecular Weight
462.600000
Exact Mass
462.263091
InChI
InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
InChIKey
RUOLFWZIFNQQGH-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
132.89
TPSA
72.96

LogP / Solubility

WLOGP
3.74
MLOGP
3.32
XLogP3
3.2
Consensus LogP
3.42
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble

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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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