CAS RN: 2097523-60-7
CC-90011
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-099555
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2097523-60-7 / 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile;benzenesulfonic acid
Basic Information
CAS
2097523-60-7
Multi CAS
No
Molecular Formula
C30H29F2N5O5S
Molecular Weight
609.600000
Exact Mass
609.185747
SMILES
CN1C(=O)C(=C(N=C1N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F)C4=CC(=C(C=C4)OC)F.C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C24H23F2N5O2.C6H6O3S/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31;7-10(8,9)6-4-2-1-3-5-6/h3-6,11-12,17H,7-10,28H2,1-2H3;1-5H,(H,7,8,9)
InChIKey
AWZCBGWZNHQCIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
2
Molar refractivity
157.21
TPSA
151.54
LogP / Solubility
WLOGP
4.13
MLOGP
3.69
XLogP3
4.13
Consensus LogP
3.98
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 2097541-17-6 Benzamide, 2-(diphenylphosphino)-N-[(8α,9R)-6′-methoxycinchonan-9-yl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzamide, 2-(diphenylphosphino)-N-[(8α,9R)-6′-methoxycinchonan-9-yl]-
- CAS RN: 2097541-17-6
- Product Code: starshine_CAS2097541-17-6
- Purity/Analytical method: >99.0%
-
C2 Ceramide (d14:1/2:0))
- CAS RN: 2097561-20-9
- Product Code: starshine_CAS2097561-20-9
- Purity/Analytical method: >99.0%
-
N,N’,N”-tris(3-aminoquinolino)phosphoric triamide
- CAS RN: 2097565-50-7
- Product Code: SSC-099560
-
-
Ms-PEG8-t-butyl ester
- CAS RN: 2097604-01-6
- Product Code: starshine_CAS2097604-01-6
- Purity/Analytical method: >99.0%
-
![CAS 2097541-17-6 Benzamide, 2-(diphenylphosphino)-N-[(8α,9R)-6′-methoxycinchonan-9-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097541-17-6.png)
