CAS RN: 701914-00-3
rac-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid
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.20250902 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-179995
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
701914-00-3 / trans-(1R,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylic acid
Basic Information
CAS
701914-00-3
Multi CAS
Yes
Molecular Formula
C10H9CLO2
Molecular Weight
196.630000
Exact Mass
196.029107
InChI
InChI=1S/C10H9ClO2/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13/h1-4,7-8H,5H2,(H,12,13)/t7-,8+/m0/s1
InChIKey
FXRZNBPQNVOJTP-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.94
TPSA
37.3
LogP / Solubility
WLOGP
2.53
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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