[email protected]
CAS 270263-02-0 (S)-3-AMINO-5-HEXENOIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 270263-02-0

(S)-3-AMINO-5-HEXENOIC ACID 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.20250111 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS270263-02-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

270263-02-0 / (3S)-3-aminohex-5-enoic acid

Standard CAS: 270263-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
270263-02-0
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
C=CC[C@@H](CC(=O)O)N
InChI
InChI=1S/C6H11NO2/c1-2-3-5(7)4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
InChIKey
UEMNCMYSSFWTCS-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.04
TPSA
63.32

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-2.3
Consensus LogP
-0.54
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.28
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)
-3.25

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

Customers Also Viewed

Get In Touch

Contact Us