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CAS 26451-92-3 7,8-Didehydro Naloxone molecular structure lightbox
CAS RN: 26451-92-3

7,8-Didehydro Naloxone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS26451-92-3
  • Purity/Analytical Methods: >99.0%
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26451-92-3 / (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Standard CAS: 26451-92-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
26451-92-3
Multi CAS
Yes
Molecular Formula
C19H19NO4
Molecular Weight
325.400000
Exact Mass
325.131408
InChI
InChI=1S/C19H19NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-6,14,17,21,23H,1,7-10H2/t14-,17+,18+,19-/m1/s1
InChIKey
VHFYKBURRFNDQL-GRGSLBFTSA-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
2
Molar refractivity
87.18
TPSA
70

LogP / Solubility

WLOGP
1.08
MLOGP
0.96
XLogP3
1.4
Consensus LogP
1.15
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8.5

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