![CAS 195703-68-5 (3aS,3a’S,8aR,8a’R)-2,2′-(1,3-Diphenylpropane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/195703-68-5.gif)
CAS RN: 195703-68-5
(3aS,3a’S,8aR,8a’R)-2,2′-(1,3-Diphenylpropane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250228 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS195703-68-5
- Purity/Analytical Methods: >99.0%
195703-68-5 / (3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Basic Information
CAS
195703-68-5
Multi CAS
No
Molecular Formula
C35H30N2O2
Molecular Weight
510.600000
Exact Mass
510.230728
SMILES
C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C(CC4=CC=CC=C4)(CC5=CC=CC=C5)C6=N[C@@H]7[C@H](O6)CC8=CC=CC=C78
InChI
InChI=1S/C35H30N2O2/c1-3-11-23(12-4-1)21-35(22-24-13-5-2-6-14-24,33-36-31-27-17-9-7-15-25(27)19-29(31)38-33)34-37-32-28-18-10-8-16-26(28)20-30(32)39-34/h1-18,29-32H,19-22H2/t29-,30-,31+,32+/m1/s1
InChIKey
AIPDQPWKPWTPGQ-ZRTHHSRSSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
153.11
TPSA
43.18
LogP / Solubility
WLOGP
6.65
MLOGP
5.89
XLogP3
6.9
Consensus LogP
6.48
Log S (ESOL)
-7.25
Class (ESOL)
Insoluble
Log S (Ali)
-8.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.22
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)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
Customers Also Viewed
-
-
2,16,19-Kauranetriol 2-O-beta-D-allopyraside
- CAS RN: 195723-38-7
- Product Code: starshine_CAS195723-38-7
- Purity/Analytical method: >99.0%
-
-
2,6,16-Kauranetriol 2-O-beta-D-allopyraside
- CAS RN: 195735-16-1
- Product Code: starshine_CAS195735-16-1
- Purity/Analytical method: >99.0%
-
-
2-Pyridineethanol,6-methoxy-(9CI)
- CAS RN: 195819-17-1
- Product Code: starshine_CAS195819-17-1
- Purity/Analytical method: >99.0%
