[email protected]
CAS 162490-70-2 1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, hydrochloride (1:2), (1S,2S)- molecular structure lightbox
CAS RN: 162490-70-2

1,2-Ethanediamine, 1,2-bis(4-methylphenyl)-, hydrochloride (1:2), (1S,2S)-

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 100mg In stock Inquiry
Batchno.20251109 1g In stock Inquiry
Batchno.20260524 500mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS162490-70-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

162490-70-2 / (1S,2S)-1,2-bis(4-methylphenyl)ethane-1,2-diamine

Standard CAS: 162490-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162490-70-2
Multi CAS
No
Molecular Formula
C16H20N2
Molecular Weight
240.340000
Exact Mass
240.162649
SMILES
CC1=CC=C(C=C1)[C@@H]([C@H](C2=CC=C(C=C2)C)N)N
InChI
InChI=1S/C16H20N2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m0/s1
InChIKey
UQUZLWQGLCLOBD-HOTGVXAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.21
TPSA
52.04

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.1
Consensus LogP
2.58
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.05

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us