![CAS 913814-37-6 2,6-BIS(DIPHENYLMETHYL)-2,6-DIAZASPIRO[3.3]HEPTANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913814-37-6.gif)
CAS RN: 913814-37-6
2,6-BIS(DIPHENYLMETHYL)-2,6-DIAZASPIRO[3.3]HEPTANE
- Product code: SSC-204370
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
913814-37-6 / 2,6-dibenzhydryl-2,6-diazaspiro[3.3]heptane
Basic Information
CAS
913814-37-6
Multi CAS
No
Molecular Formula
C31H30N2
Molecular Weight
430.600000
Exact Mass
430.240899
InChI
InChI=1S/C31H30N2/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)32-21-31(22-32)23-33(24-31)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKey
UPVDPYLKLAKPQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
135.03
TPSA
6.48
LogP / Solubility
WLOGP
6.18
MLOGP
5.47
XLogP3
6.3
Consensus LogP
5.98
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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