![CAS 2276607-04-4 Cyclohexanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluoro-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2276607-04-4.gif)
CAS RN: 2276607-04-4
Cyclohexanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluoro-, (αS)-
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.20260613 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-110914
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2276607-04-4 / 3-(4,4-difluorocyclohexyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
2276607-04-4
Multi CAS
No
Molecular Formula
C24H25F2NO4
Molecular Weight
429.500000
Exact Mass
429.175165
SMILES
C1CC(CCC1CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(F)F
InChI
InChI=1S/C24H25F2NO4/c25-24(26)11-9-15(10-12-24)13-21(22(28)29)27-23(30)31-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,27,30)(H,28,29)/t21-/m0/s1
InChIKey
RMSWMCCCXPTECG-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
111.15
TPSA
75.63
LogP / Solubility
WLOGP
5.19
MLOGP
4.6
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.48
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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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