![CAS 1204207-84-0 “(11bR)- 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/2023/05/1204207-84-0.gif)
CAS RN: 1204207-84-0
“(11bR)- 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.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS1204207-84-0
- Purity/Analytical Methods: >99.0%
1204207-84-0 / 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
(11bS)- 2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine | (11bR)-2,6-Diphenyl-N,N-bis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine | (11bS)-2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
Basic Information
CAS
1204207-84-0
Multi CAS
Yes
Molecular Formula
C48H38NO2P
Molecular Weight
691.800000
Exact Mass
691.264016
SMILES
C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4C6=CC=CC=C6)C7=C(O3)C(=CC8=CC=CC=C87)C9=CC=CC=C9
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
Synonyms
(11bS)- 2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
(11bR)-2,6-Diphenyl-N,N-bis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
(11bS)-2,6-diphenyl-N,N-bis[(1R)-1-phenylethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
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
SCHEMBL23084505
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
-
![CAS 1204207-86-2 “(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
“(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-N,N-bis[(1R)-1-phenylethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”
- CAS RN: 1204207-86-2
- Product Code: starshine_CAS1204207-86-2
- Purity/Analytical method: >99.0%
-
2′,4′,5′,7′ – tetrahydrospiro[[1,3]dioxolane – 2,6′ – indazole]
- CAS RN: 1204218-41-6
- Product Code: SSC-021387
-
-
-
1-(5-broMopyridin-3-yl)-2,2,2-trifluoroethanol
- CAS RN: 1204234-60-5
- Product Code: SSC-021394
-
3-(Trifluoromethylthio)pyridin-2-amine
- CAS RN: 1204234-81-0
- Product Code: starshine_CAS1204234-81-0
- Purity/Analytical method: >99.0%
![CAS 1204207-86-2 “(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-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/2023/05/1204207-86-2.gif)
![CAS 1204218-41-6 2′,4′,5′,7′ – tetrahydrospiro[[1,3]dioxolane – 2,6′ – indazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204218-41-6.gif)
