[email protected]
CAS 4767-00-4 3-(2-Benzothiazolylthio)propionic Acid molecular structure lightbox
CAS RN: 4767-00-4

3-(2-Benzothiazolylthio)propionic Acid

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 100g In stock Inquiry
Batchno.20250421 25g In stock Inquiry
Batchno.20260115 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 100g Out of stock Inquiry
Batchno.20250329 25g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250720 5g In stock Shanghai Inquiry
  • Product code: ICTB1942
  • Purity/Analytical Methods: >98.0%(T)
GET A QUOTE

4767-00-4 / 3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid

Standard CAS: 4767-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4767-00-4
Multi CAS
Yes
Molecular Formula
C10H9NO2S2
Molecular Weight
239.300000
Exact Mass
239.007471
InChI
InChI=1S/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)
InChIKey
DXSBAOMLHPFLMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.6
TPSA
50.19

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
1.8
Consensus LogP
2.39
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us