CAS RN: 1788058-39-8
(S)-Methyl 3-(2-chloropyridin-4-yl)-3-cyclopropylpropanoate
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.20250131 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-079628
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 |
1788058-39-8 / methyl (3S)-3-(2-chloro-4-pyridinyl)-3-cyclopropylpropanoate
Basic Information
CAS
1788058-39-8
Multi CAS
No
Molecular Formula
C12H14ClNO2
Molecular Weight
239.700000
Exact Mass
239.071306
SMILES
COC(=O)C[C@@H](C1CC1)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C12H14ClNO2/c1-16-12(15)7-10(8-2-3-8)9-4-5-14-11(13)6-9/h4-6,8,10H,2-3,7H2,1H3/t10-/m0/s1
InChIKey
MCHAHPNGMPXGCC-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
61.35
TPSA
39.19
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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