![CAS 82977-93-3 [R,(+)]-2-(Benzyloxy)propionyl chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/82977-93-3.gif)
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
82977-93-3 / (2R)-2-phenylmethoxypropanoyl chloride
Basic Information
CAS
82977-93-3
Multi CAS
Yes
Molecular Formula
C10H11CLO2
Molecular Weight
198.640000
Exact Mass
198.044757
InChI
InChI=1S/C10H11ClO2/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
InChIKey
XMTKNMQAPNHLJP-MRVPVSSYSA-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
51.55
TPSA
26.3
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-2.63
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
2
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TAZANOLAST
- CAS RN: 82989-25-1
- Product Code: starshine_CAS82989-25-1
- Purity/Analytical method: >99.0%
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