[email protected]
CAS 1379335-94-0 4-Chloro-thieno[2,3-b]pyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 1379335-94-0

4-Chloro-thieno[2,3-b]pyridine-2-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.20250320 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1379335-94-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1379335-94-0 / 4-chlorothieno[2,3-b]pyridine-2-carboxylic acid

Standard CAS: 1379335-94-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1379335-94-0
Multi CAS
No
Molecular Formula
C8H4ClNO2S
Molecular Weight
213.640000
Exact Mass
212.965127
SMILES
C1=CN=C2C(=C1Cl)C=C(S2)C(=O)O
InChI
InChI=1S/C8H4ClNO2S/c9-5-1-2-10-7-4(5)3-6(13-7)8(11)12/h1-3H,(H,11,12)
InChIKey
VGXKUAIWPFROEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.59
TPSA
50.19

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us