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CAS 21041-10-1 Dihydronarwedine molecular structure lightbox
CAS RN: 21041-10-1

Dihydronarwedine

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250412 10mg Out of stock Inquiry
Batchno.20260513 1mg In stock Inquiry
Batchno.20260218 5mg In stock Inquiry
  • Product code: starshine_CAS21041-10-1
  • Purity/Analytical Methods: >99.0%
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21041-10-1 / (1R,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-one

Standard CAS: 21041-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21041-10-1
Multi CAS
No
Molecular Formula
C17H21NO3
Molecular Weight
287.350000
Exact Mass
287.152144
SMILES
CN1CC[C@@]23CCC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC
InChI
InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,14H,5-10H2,1-2H3/t14-,17-/m0/s1
InChIKey
UFQNQEIAGBZCBL-YOEHRIQHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
78.9
TPSA
38.77

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
1.5
Consensus LogP
1.93
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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