[email protected]
CAS 1050556-38-1 3-(2-AMino-4-thiazolyl)phenol Hydrochloride molecular structure lightbox
CAS RN: 1050556-38-1

3-(2-AMino-4-thiazolyl)phenol Hydrochloride

  • Product code: SSC-006836
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 25g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1050556-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

1050556-38-1 / 3-(2-amino-1,3-thiazol-4-yl)phenol;hydrochloride

3-(2-amino-4-thiazolyl)Phenol hydrochloride | 3-(2-Aminothiazol-4-yl)phenol hydrochloride | 3-(2-AMINO-THIAZOL-4-YL)-PHENOL HYDROCHLORIDE

Standard CAS: 1050556-38-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1050556-38-1
Multi CAS
Yes
Molecular Formula
C9H9ClN2OS
Molecular Weight
228.700000
Exact Mass
228.012412
SMILES
C1=CC(=CC(=C1)O)C2=CSC(=N2)N.Cl
InChI
InChI=1S/C9H8N2OS.ClH/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6;/h1-5,12H,(H2,10,11);1H
InChIKey
NJQDMVOVOWVSPZ-UHFFFAOYSA-N
Synonyms
3-(2-amino-4-thiazolyl)Phenol hydrochloride 3-(2-Aminothiazol-4-yl)phenol hydrochloride 3-(2-AMINO-THIAZOL-4-YL)-PHENOL HYDROCHLORIDE MFCD08582775 3-(2-AMINO-4-THIAZOLYL)PHENOL HCL

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.88
TPSA
59.14

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.52
Consensus LogP
2.42
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-2.33

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