CAS RN: 5928-66-5
(R)-(-)-BENZOIN
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250320 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS5928-66-5
- Purity/Analytical Methods: >99.0%
5928-66-5 / 2-hydroxy-1,2-diphenylethanone
Basic Information
CAS
5928-66-5
Multi CAS
Yes
Molecular Formula
C14H12O2
Molecular Weight
212.240000
Exact Mass
212.083730
InChI
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m1/s1
InChIKey
ISAOCJYIOMOJEB-CYBMUJFWSA-N
Physical Properties
Melting Point
279 °F (NTP, 1992)
134-138
MP:133-4 °C /D & L FORMS/
137 °C
Boiling Point
651 °F at 760 mmHg (NTP, 1992)
194.00 °C. @ 12.00 mm Hg
at 102.4kPa: 344 °C
Density
1.31 at 68 °F (NTP, 1992) - Denser than water; will sink
1.31 g/cm³
Physical Description
Benzoin is an off-white to yellow-white crystalline solid with an odor of camphor. Slightly acrid taste. When broken the fresh surfaces have a milky-white color. (NTP, 1992)
Pellets or Large Crystals; NKRA; Dry Powder
White or yellowish solid; Slightly soluble in water; [Hawley] Water solubility = 300 mg/L; [ChemIDplus] Slightly yellow solid;
Solid
WHITE-TO-YELLOW CRYSTALS.
Appearance
PALE YELLOW CRYSTALS
WHITE CRYSTALS
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.17
TPSA
37.3
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.1
Consensus LogP
2.33
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
