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CAS 344402-87-5 (1S,2S)- N’,N’-diMethyl-1,2-diphenyl-1,2-EthanediaMine molecular structure lightbox
CAS RN: 344402-87-5

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS344402-87-5
  • Purity/Analytical Methods: >99.0%
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344402-87-5 / N',N'-dimethyl-1,2-diphenylethane-1,2-diamine

Standard CAS: 344402-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
344402-87-5
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-/m0/s1
InChIKey
OEDXASUOCKHCRL-HOTGVXAUSA-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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