[email protected]
CAS 134152-15-1 Homotaurine N,N-Diacetic Acid molecular structure lightbox
CAS RN: 134152-15-1

Homotaurine N,N-Diacetic 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.20250509 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS134152-15-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

134152-15-1 / 2-[carboxymethyl(3-sulfopropyl)amino]acetic acid

Standard CAS: 134152-15-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134152-15-1
Multi CAS
No
Molecular Formula
C7H13NO7S
Molecular Weight
255.250000
Exact Mass
255.041273
SMILES
C(CN(CC(=O)O)CC(=O)O)CS(=O)(=O)O
InChI
InChI=1S/C7H13NO7S/c9-6(10)4-8(5-7(11)12)2-1-3-16(13,14)15/h1-5H2,(H,9,10)(H,11,12)(H,13,14,15)
InChIKey
CYENWLQMKHLYKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.71
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
52.74
TPSA
132.21

LogP / Solubility

WLOGP
-1.26
MLOGP
-1.11
XLogP3
-3.6
Consensus LogP
-1.99
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us