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 |
74124-86-0 / methyl 3-(2-chlorophenyl)propanoate
Basic Information
CAS
74124-86-0
Multi CAS
No
Molecular Formula
C10H11CLO2
Molecular Weight
198.640000
Exact Mass
198.044757
InChI
InChI=1S/C10H11ClO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKey
SKAIVXBBFBJQOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.79
TPSA
26.3
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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4-CHLORO-1H-INDENE
- CAS RN: 74124-87-1
- Product Code: starshine_CAS74124-87-1
- Purity/Analytical method: >99.0%
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