CAS RN: 40320-62-5
1-(DIPHENYLMETHYL)-3-PHENYL-3-AZETIDINOL
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.20260330 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40320-62-5
- Purity/Analytical Methods: >99.0%
40320-62-5 / 1-benzhydryl-3-phenylazetidin-3-ol
Basic Information
CAS
40320-62-5
Multi CAS
No
Molecular Formula
C22H21NO
Molecular Weight
315.400000
Exact Mass
315.162314
InChI
InChI=1S/C22H21NO/c24-22(20-14-8-3-9-15-20)16-23(17-22)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21,24H,16-17H2
InChIKey
ZEYWZZWPRDEWHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
96.64
TPSA
23.47
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
3.9
Consensus LogP
3.8
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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