CAS RN: 6282-07-1
Propanoic acid,3-chloro-, phenylmethyl ester
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.20260430 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6282-07-1
- Purity/Analytical Methods: >99.0%
6282-07-1 / benzyl 3-chloropropanoate
Basic Information
CAS
6282-07-1
Multi CAS
Yes
Molecular Formula
C10H11CLO2
Molecular Weight
198.640000
Exact Mass
198.044757
InChI
InChI=1S/C10H11ClO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
OOQHRQQUQCZZHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
51.58
TPSA
26.3
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.39
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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