![CAS 882992-52-1 “(11bS)- 2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/882992-52-1.gif)
CAS RN: 882992-52-1
“(11bS)- 2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS882992-52-1
- Purity/Analytical Methods: >99.0%
882992-52-1 / 10,16-diphenyl-N,N-bis[(1R)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Basic Information
CAS
882992-52-1
Multi CAS
Yes
Molecular Formula
C48H38NO2P
Molecular Weight
691.800000
Exact Mass
691.264016
InChI
InChI=1S/C48H38NO2P/c1-33(35-19-7-3-8-20-35)49(34(2)36-21-9-4-10-22-36)52-50-47-43(37-23-11-5-12-24-37)31-39-27-15-17-29-41(39)45(47)46-42-30-18-16-28-40(42)32-44(48(46)51-52)38-25-13-6-14-26-38/h3-34H,1-2H3/t33-,34-/m1/s1
InChIKey
TXCQLQDBEFKKPC-KKLWWLSJSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
47
Fraction Csp3
0.08
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
220.14
TPSA
29.52
LogP / Solubility
WLOGP
14.39
MLOGP
12.72
XLogP3
13.1
Consensus LogP
13.4
Log S (ESOL)
-13.4
Class (ESOL)
Insoluble
Log S (Ali)
-15.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.94
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)
3.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
Customers Also Viewed
-
2,4-DIFLUORO-N-HYDROXYBENZENECARBOXIMIDAMIDE
- CAS RN: 883022-90-0
- Product Code: SSC-198870
-
2-Methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
- CAS RN: 883031-03-6
- Product Code: starshine_CAS883031-03-6
- Purity/Analytical method: >99.0%
-
S14161
- CAS RN: 883046-50-2
- Product Code: starshine_CAS883046-50-2
- Purity/Analytical method: >99.0%
-
-
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one
- CAS RN: 883065-90-5
- Product Code: SSC-198873
-
![CAS 883031-03-6 2-Methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883031-03-6.gif)
![CAS 883065-90-5 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883065-90-5.gif)
