[email protected]
CAS 1427502-19-9 Ethyl Azepane-3-Carboxylate Hydrochloride molecular structure lightbox
CAS RN: 1427502-19-9

Ethyl Azepane-3-Carboxylate Hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1427502-19-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1427502-19-9 / ethyl azepane-3-carboxylate;hydrochloride

Standard CAS: 1427502-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427502-19-9
Multi CAS
No
Molecular Formula
C9H18ClNO2
Molecular Weight
207.700000
Exact Mass
207.102607
SMILES
CCOC(=O)C1CCCCNC1.Cl
InChI
InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)8-5-3-4-6-10-7-8;/h8,10H,2-7H2,1H3;1H
InChIKey
QMKFELCUZZLWMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.09
TPSA
38.33

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us