![CAS 2430019-26-2 Butanoic acid, 4-(dimethylamino)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-4-oxo-, 2-propen-1-yl ester, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2430019-26-2.gif)
CAS RN: 2430019-26-2
Butanoic acid, 4-(dimethylamino)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-4-oxo-, 2-propen-1-yl ester, (3S)-
- Product code: SSC-118476
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 | Hong Kong | Inquiry |
2430019-26-2 / prop-2-enyl (3S)-4-(dimethylamino)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoate
Basic Information
CAS
2430019-26-2
Multi CAS
No
Molecular Formula
C25H28N2O5
Molecular Weight
436.500000
Exact Mass
436.199822
SMILES
CN(C)C(=O)[C@H](CC(=O)OCC=C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H28N2O5/c1-5-14-31-23(28)15-22(24(29)26(2)3)27(4)25(30)32-16-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h5-13,21-22H,1,14-16H2,2-4H3/t22-/m0/s1
InChIKey
POZZFCWXDDOUES-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
121.09
TPSA
76.15
LogP / Solubility
WLOGP
3.44
MLOGP
3.06
XLogP3
3.3
Consensus LogP
3.27
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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