[email protected]
CAS 97945-19-2 TRANS-2-AMINO-4-CYCLOHEXENE-1-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 97945-19-2

TRANS-2-AMINO-4-CYCLOHEXENE-1-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS97945-19-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

97945-19-2 / 6-aminocyclohex-3-ene-1-carboxylic acid

Standard CAS: 97945-19-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97945-19-2
Multi CAS
Yes
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
InChI
InChI=1S/C7H11NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)
InChIKey
CQINMZNDBYQHKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.48
TPSA
63.32

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-1.7
Consensus LogP
-0.34
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
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)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us