CAS RN: 1642297-01-5
SRN-927)
Product Availability
Choose a grade to view its available package options.
6 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260606 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1642297-01-5
- Purity/Analytical Methods: >99.0%
1642297-01-5 / (2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
Basic Information
CAS
1642297-01-5
Multi CAS
No
Molecular Formula
C28H28FNO4
Molecular Weight
461.500000
Exact Mass
461.200237
SMILES
CC1=C([C@@H](OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O
InChI
InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1
InChIKey
KJAAPZIFCQQQKX-NDEPHWFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
129.91
TPSA
62.16
LogP / Solubility
WLOGP
5.44
MLOGP
4.82
XLogP3
4.7
Consensus LogP
4.99
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1642330-73-1 11,12-Dihydro-11-(1,1-dipheny-3-yl)-indolo[2,3-a]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1642330-73-1.gif)