![CAS 1381986-21-5 5,5-dimethyl-5,13-dihydrobenzofuro[3,2-c]acridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1381986-21-5.gif)
CAS RN: 1381986-21-5
5,5-dimethyl-5,13-dihydrobenzofuro[3,2-c]acridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250604 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1381986-21-5
- Purity/Analytical Methods: >99.0%
1381986-21-5 / 5,5-dimethyl-13H-[1]benzofuro[3,2-c]acridine
Basic Information
CAS
1381986-21-5
Multi CAS
No
Molecular Formula
C21H17NO
Molecular Weight
299.400000
Exact Mass
299.131014
SMILES
CC1(C2=C(C3=C(C=C2)C4=CC=CC=C4O3)NC5=CC=CC=C51)C
InChI
InChI=1S/C21H17NO/c1-21(2)15-8-4-5-9-17(15)22-19-16(21)12-11-14-13-7-3-6-10-18(13)23-20(14)19/h3-12,22H,1-2H3
InChIKey
NRQDDTSNTRDUMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.57
TPSA
25.17
LogP / Solubility
WLOGP
5.97
MLOGP
5.26
XLogP3
6.1
Consensus LogP
5.78
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1382481-79-9 [(3R)-3-(Hydroxymethyl)-1-piperidinyl][4-[2-(4-methoxyphenyl)ethynyl]phenyl]-methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1382481-79-9.gif)
