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CAS 19777-82-3 5,6,8,14-Tetradehydro-3-hydroxy-2,6-dimethoxy-17-methylmorphinan-7-one molecular structure lightbox
CAS RN: 19777-82-3

5,6,8,14-Tetradehydro-3-hydroxy-2,6-dimethoxy-17-methylmorphinan-7-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19777-82-3
  • Purity/Analytical Methods: >99.0%
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19777-82-3 / (1R,9R)-4-hydroxy-5,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one

Standard CAS: 19777-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19777-82-3
Multi CAS
No
Molecular Formula
C19H21NO4
Molecular Weight
327.400000
Exact Mass
327.147058
SMILES
CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=CC(=C(C=C34)O)OC)OC
InChI
InChI=1S/C19H21NO4/c1-20-5-4-19-10-18(24-3)16(22)9-13(19)14(20)6-11-7-17(23-2)15(21)8-12(11)19/h7-10,14,21H,4-6H2,1-3H3/t14-,19-/m1/s1
InChIKey
GSNZKNRMDZYEAI-AUUYWEPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.26
TPSA
59

LogP / Solubility

WLOGP
1.94
MLOGP
1.72
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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