![CAS 556797-94-5 racemic-8,8′-Bis(diphenylphosphino)-3,3′,4,4′-tetrahydro-4,4,4′,4′,6,6′-hexamethyl-2,2′-spirobi[2H-1-benzopyran] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/556797-94-5.gif)
CAS RN: 556797-94-5
racemic-8,8′-Bis(diphenylphosphino)-3,3′,4,4′-tetrahydro-4,4,4′,4′,6,6′-hexamethyl-2,2′-spirobi[2H-1-benzopyran]
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.20250413 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS556797-94-5
- Purity/Analytical Methods: >99.0%
556797-94-5 / (8'-diphenylphosphanyl-4,4,4',4',6,6'-hexamethyl-2,2'-spirobi[3H-chromene]-8-yl)-diphenylphosphane
Basic Information
CAS
556797-94-5
Multi CAS
No
Molecular Formula
C47H46O2P2
Molecular Weight
704.800000
Exact Mass
704.297305
InChI
InChI=1S/C47H46O2P2/c1-33-27-39-43(41(29-33)50(35-19-11-7-12-20-35)36-21-13-8-14-22-36)48-47(31-45(39,3)4)32-46(5,6)40-28-34(2)30-42(44(40)49-47)51(37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-30H,31-32H2,1-6H3
InChIKey
RQMTZMWXNZQOPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
36
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
219.04
TPSA
18.46
LogP / Solubility
WLOGP
9.34
MLOGP
8.28
XLogP3
12.2
Consensus LogP
9.94
Log S (ESOL)
-10.22
Class (ESOL)
Insoluble
Log S (Ali)
-12.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.71
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.39
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
N-benzyloxycarbonyl-3-fluoro-4-(4′-phenylpiperazinyl)aniline
- CAS RN: 556801-41-3
- Product Code: SSC-163594
-
TCN 213
- CAS RN: 556803-08-8
- Product Code: starshine_CAS556803-08-8
- Purity/Analytical method: >99.0%
-
3,4-a’]dinaphthalen-4-yl)[(1S)-1-phenylethyl]-aMine
- CAS RN: 556808-28-7
- Product Code: starshine_CAS556808-28-7
- Purity/Analytical method: >99.0%
-
3,4-a’]dinaphthalen-4-yl)[(1S)-1-phenylethyl]-aMine
- CAS RN: 556808-29-8
- Product Code: starshine_CAS556808-29-8
- Purity/Analytical method: >99.0%
-
CHIR 98014
- CAS RN: 556813-39-9
- Product Code: starshine_CAS556813-39-9
- Purity/Analytical method: >99.0%
-
tert-butyl (S)-2-cyanoazetidine-1-carboxylate
- CAS RN: 556835-05-3
- Product Code: SSC-163602
![CAS 556808-28-7 3,4-a’]dinaphthalen-4-yl)[(1S)-1-phenylethyl]-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/556808-28-7.gif)
![CAS 556808-29-8 3,4-a’]dinaphthalen-4-yl)[(1S)-1-phenylethyl]-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/556808-29-8.gif)
