Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.025g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.025g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
23095-44-5 / 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
Basic Information
CAS
23095-44-5
Multi CAS
No
Molecular Formula
C18H17NO
Molecular Weight
263.300000
Exact Mass
263.131014
SMILES
CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC=CC=C42
InChI
InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3
InChIKey
GAEQWKVGMHUUKO-UHFFFAOYSA-N
Physical Properties
Melting Point
175 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
13
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
84.28
TPSA
25.02
LogP / Solubility
WLOGP
4.81
MLOGP
4.24
XLogP3
4.7
Consensus LogP
4.58
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 230961-08-7 N1-[(1S)-2,2-Dimethyl-1-[[[(1R)-1-phenylethyl]amino]carbonyl]propyl]-N4-hydroxy-2-[3-(2-methyl[1,1′-biphenyl]-4-yl)propyl]-butanediamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/230961-08-7.gif)
