![CAS 1223020-29-8 2,6-Bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3934-jpgcontextbwfzdgvyfhjvb3r8nde1mjh8aw1hz2uvanblz3xoodevaddklzg5mjg5oti1ntkxmzqvqjm5mzquanbnfgyxyznknju3yjhhowuxyjhhyzmwm2uxnja2zmfjndy1ytjimwu3ntkznmqwmjiwmmyynzi3mjgzn2q0njfkmte.jpeg)
CAS RN: 1223020-29-8
2,6-Bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260627 | 50mg | Out of stock | Inquiry |
- Product code: ICTB3934
- Purity/Analytical Methods: >90.0%(HPLC)
1223020-29-8 / 2,6-bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine
Basic Information
CAS
1223020-29-8
Multi CAS
No
Molecular Formula
C49H45N5
Molecular Weight
703.900000
Exact Mass
703.367496
SMILES
C1=CC=C(C=C1)CN2[C@H]([C@@H](N[C@H]2C3=NC(=CC=C3)[C@@H]4N[C@H]([C@@H](N4CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C49H45N5/c1-7-20-36(21-8-1)34-53-46(40-28-15-5-16-29-40)44(38-24-11-3-12-25-38)51-48(53)42-32-19-33-43(50-42)49-52-45(39-26-13-4-14-27-39)47(41-30-17-6-18-31-41)54(49)35-37-22-9-2-10-23-37/h1-33,44-49,51-52H,34-35H2/t44-,45-,46-,47-,48+,49+/m0/s1
InChIKey
XLWFDEFJSJPDND-CTRFHGHOSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
42
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
216.69
TPSA
43.43
LogP / Solubility
WLOGP
10.25
MLOGP
9.08
XLogP3
8.7
Consensus LogP
9.34
Log S (ESOL)
-10.58
Class (ESOL)
Insoluble
Log S (Ali)
-12.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Customers Also Viewed
-
![CAS 1450841-27-6 2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine
- CAS RN: 1450841-27-6
- Product Code: ICTB4228
- Purity/Analytical method: >90.0%(HPLC)
-
2,4,6-Tri(4-pyridyl)-1,3,5-triazine (purified by sublimation)
- CAS RN: 42333-78-8
- Product Code: SSC-150670
-
-
-
-
N,N’-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate
- CAS RN: 1310544-60-5
- Product Code: SSC-037717
![CAS 1450841-27-6 2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4228-jpgcontextbwfzdgvyfhjvb3r8mzkwmdr8aw1hz2uvanblz3xondevagyzlzg5mjkwndaynjkzndivqjqymjguanbnfdayzdrhnzc3ntfjmtu1mti3mwe3ndixnze5ngvlzda2ntc2nmrlzjqyzwu1zjvhnwqzoguzzgm3otllowq4zmu.jpeg)
