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CAS 320778-96-9 (1R,2R)- N’,N’-diMethyl-1,2-diphenyl-1,2-EthanediaMine molecular structure lightbox
CAS RN: 320778-96-9

(1R,2R)- N’,N’-diMethyl-1,2-diphenyl-1,2-EthanediaMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS320778-96-9
  • Purity/Analytical Methods: >99.0%
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320778-96-9 / N',N'-dimethyl-1,2-diphenylethane-1,2-diamine

Standard CAS: 320778-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
320778-96-9
Multi CAS
Yes
Molecular Formula
C16H20N2
Molecular Weight
240.340000
Exact Mass
240.162649
InChI
InChI=1S/C16H20N2/c1-18(2)16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,15-16H,17H2,1-2H3/t15-,16-/m1/s1
InChIKey
OEDXASUOCKHCRL-HZPDHXFCSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.24
TPSA
29.26

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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