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CAS 1091606-67-5 (1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethylamine, min. 97% molecular structure lightbox
CAS RN: 1091606-67-5

(1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethylamine, min. 97%

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 100mg Out of stock Inquiry
Batchno.20260625 1g Out of stock Inquiry
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Batchno.20250728 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1091606-67-5
  • Purity/Analytical Methods: >99.0%
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1091606-67-5 / (1S,2S)-2-diphenylphosphanyl-1,2-diphenylethanamine

(1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethylamine | RefChem:394004 | 693-276-2

Standard CAS: 1091606-67-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1091606-67-5
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-/m0/s1
InChIKey
MIPGTOGPLXZBQX-UIOOFZCWSA-N
Synonyms
(1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethylamine RefChem:394004 693-276-2 (1S,2S)-2-(Diphenylphosphino)-1,2-diphenylethanamine MFCD11045444

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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