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CAS 896736-21-3 Ramelteon Metabolite M-II molecular structure lightbox
CAS RN: 896736-21-3

Ramelteon Metabolite M-II

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS896736-21-3
  • Purity/Analytical Methods: >99.0%
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896736-21-3 / (2R)-2-hydroxy-N-[2-[(8R)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

Standard CAS: 896736-21-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
896736-21-3
Multi CAS
Yes
Molecular Formula
C16H21NO3
Molecular Weight
275.340000
Exact Mass
275.152144
InChI
InChI=1S/C16H21NO3/c1-10(18)16(19)17-8-6-12-3-2-11-4-5-14-13(15(11)12)7-9-20-14/h4-5,10,12,18H,2-3,6-9H2,1H3,(H,17,19)/t10?,12-/m0/s1
InChIKey
FGFNIJYHXMJYJN-KFJBMODSSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.01
TPSA
58.56

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
2
Consensus LogP
1.63
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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