CAS RN: 1091606-68-6
(1R,2R)-2-(Diphenylphosphino)-1,2-diphenylethylamine, min. 97%
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS1091606-68-6
- Purity/Analytical Methods: >99.0%
1091606-68-6 / (1R,2R)-2-diphenylphosphanyl-1,2-diphenylethanamine
SCHEMBL12700905 | 2-diphenylphosphanyl-1,2-diphenyl-ethanamine
Basic Information
CAS
1091606-68-6
Multi CAS
Yes
Molecular Formula
C26H24NP
Molecular Weight
381.400000
Exact Mass
381.164637
SMILES
C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)N
InChI
InChI=1S/C26H24NP/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,27H2/t25-,26-/m1/s1
InChIKey
MIPGTOGPLXZBQX-CLJLJLNGSA-N
Synonyms
SCHEMBL12700905
2-diphenylphosphanyl-1,2-diphenyl-ethanamine
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
121.63
TPSA
26.02
LogP / Solubility
WLOGP
5.56
MLOGP
4.92
XLogP3
5.2
Consensus LogP
5.23
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
(1S,2S)-2-(Diphenylphosphino)-2,3-dihydro-1H-inden-1-amine, min. 97% (10wt% in THF)
- CAS RN: 1091606-69-7
- Product Code: starshine_CAS1091606-69-7
- Purity/Analytical method: >99.0%
-
(1R,2R)-2-(Diphenylphosphino)-2,3-dihydro-1H-inden-1-amine, min. 97% (10wt% in THF)
- CAS RN: 1091606-70-0
- Product Code: SSC-010255
-
-
Loxoprofen related coMpound 1
- CAS RN: 1091621-63-4
- Product Code: starshine_CAS1091621-63-4
- Purity/Analytical method: >99.0%
-
1-[[(2E)-3-Phenyl-2-propen-1-yl]oxy]naphthalene
- CAS RN: 1091626-77-5
- Product Code: starshine_CAS1091626-77-5
- Purity/Analytical method: >99.0%
-
22-Amino-5,8,11,14,17,20-hexaoxa-2-azadocosanoic acid 1,1-dimethylethyl ester
- CAS RN: 1091627-77-8
- Product Code: SSC-010261
![CAS 1091626-77-5 1-[[(2E)-3-Phenyl-2-propen-1-yl]oxy]naphthalene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1091626-77-5.gif)
