[email protected]
CAS 215596-34-2 dicyclohexylamine (S)-2-((ethoxycarbonyl)amino)propanoate molecular structure lightbox
CAS RN: 215596-34-2

dicyclohexylamine (S)-2-((ethoxycarbonyl)amino)propanoate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250409 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS215596-34-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

215596-34-2 / N-cyclohexylcyclohexanamine;(2S)-2-(ethoxycarbonylamino)propanoic acid

Standard CAS: 215596-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215596-34-2
Multi CAS
No
Molecular Formula
C18H34N2O4
Molecular Weight
342.500000
Exact Mass
342.251858
SMILES
CCOC(=O)N[C@@H](C)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C6H11NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-11-6(10)7-4(2)5(8)9/h11-13H,1-10H2;4H,3H2,1-2H3,(H,7,10)(H,8,9)/t;4-/m.0/s1
InChIKey
VWYYVRAJVJLAGB-VWMHFEHESA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.14
TPSA
87.66

LogP / Solubility

WLOGP
3.45
MLOGP
3.05
XLogP3
3.45
Consensus LogP
3.32
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us