![CAS 956327-03-0 METHYL 2-[(CHLOROACETYL)AMINO]-4-METHYLPENTANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1788439.gif)
CAS RN: 956327-03-0
METHYL 2-[(CHLOROACETYL)AMINO]-4-METHYLPENTANOATE
- Product code: SSC-211146
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 |
956327-03-0 / 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
Basic Information
CAS
956327-03-0
Multi CAS
Yes
Molecular Formula
C12FH11N2O4
Molecular Weight
266.220000
Exact Mass
266.070285
InChI
InChI=1S/C12H11FN2O4/c1-12(7-2-4-8(13)5-3-7)10(18)15(6-9(16)17)11(19)14-12/h2-5H,6H2,1H3,(H,14,19)(H,16,17)
InChIKey
BYNVPEAJZWNGHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.63
TPSA
86.71
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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