CAS RN: 20410-98-4
6a-Naltrexol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20410-98-4
- Purity/Analytical Methods: >99.0%
20410-98-4 / (4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Basic Information
CAS
20410-98-4
Multi CAS
No
Molecular Formula
C20H25NO4
Molecular Weight
343.400000
Exact Mass
343.178358
SMILES
C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@H]1O)OC5=C(C=C4)O)O
InChI
InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
InChIKey
JLVNEHKORQFVQJ-SBCNTATESA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
90.8
TPSA
73.16
LogP / Solubility
WLOGP
1.32
MLOGP
1.18
XLogP3
-0.4
Consensus LogP
0.7
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
9.5
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- CAS RN: 20411-47-6
- Product Code: starshine_CAS20411-47-6
- Purity/Analytical method: >99.0%
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