CAS RN: 10606-72-1
Ethyl D-(-)-Mandelate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-007715
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: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 10
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 100g | -- | 3 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 3 In Stock | Beijing | Inquiry |
10606-72-1 / ethyl (2R)-2-hydroxy-2-phenylacetate
ETHYL MANDELATE | Ethyl phenylglycolate | Mandelic acid, ethyl ester
Basic Information
CAS
10606-72-1
Multi CAS
Yes
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
SMILES
CCOC(=O)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m1/s1
InChIKey
SAXHIDRUJXPDOD-SECBINFHSA-N
Synonyms
ETHYL MANDELATE
Ethyl phenylglycolate
Mandelic acid, ethyl ester
Mandelsaeureaethylester
Benzeneacetic acid, alpha-hydroxy-, ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.03
TPSA
46.53
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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