![CAS 1092064-02-2 (1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1′,2′-e]phosphepin-4-yl]-1,2-diphenylethanamine, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092064-02-2.gif)
CAS RN: 1092064-02-2
(1S,2S)-2-[(4R,11bS)-3,5-dihydro-4H-dinaphtho[2,1-c:1′,2′-e]phosphepin-4-yl]-1,2-diphenylethanamine, min. 97%
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251012 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1092064-02-2
- Purity/Analytical Methods: >99.0%
1092064-02-2 / (1S,2S)-1,2-diphenyl-2-(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-yl)ethanamine
(1S,2S)-2-((4S)-3H-Dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanamine | (1S,2S)-1,2-diphenyl-2-(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-yl)ethanamine | C36H30NP
Basic Information
CAS
1092064-02-2
Multi CAS
Yes
Molecular Formula
C36H30NP
Molecular Weight
507.600000
Exact Mass
507.211587
SMILES
C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1[C@@H](C5=CC=CC=C5)[C@H](C6=CC=CC=C6)N)C=CC7=CC=CC=C74
InChI
InChI=1S/C36H30NP/c37-35(27-13-3-1-4-14-27)36(28-15-5-2-6-16-28)38-23-29-21-19-25-11-7-9-17-31(25)33(29)34-30(24-38)22-20-26-12-8-10-18-32(26)34/h1-22,35-36H,23-24,37H2/t35-,36-/m0/s1
InChIKey
YHBAPPMVVCHAQC-ZPGRZCPFSA-N
Synonyms
(1S,2S)-2-((4S)-3H-Dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanamine
(1S,2S)-1,2-diphenyl-2-(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-yl)ethanamine
C36H30NP
(1S,2S)-2-[(4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl]-1,2-diphenylethylamine
SCHEMBL666923
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
32
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
163.77
TPSA
26.02
LogP / Solubility
WLOGP
9.6
MLOGP
8.48
XLogP3
7.2
Consensus LogP
8.43
Log S (ESOL)
-9.39
Class (ESOL)
Insoluble
Log S (Ali)
-10.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.4
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
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
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