CAS RN: 1356016-34-6
5-Chlorothieno[3,2-b]pyridine-3-carboxylic acid
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250202 |
50mg / 250mg |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS1356016-34-6
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Purity/Analytical Methods:
>99.0%
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1356016-34-6 / 5-chlorothieno[3,2-b]pyridine-3-carboxylic acid
Standard CAS: 1356016-34-6
Multi CAS: No
Basic Information
CAS
1356016-34-6
Multi CAS
No
Molecular Formula
C8H4ClNO2S
Molecular Weight
213.640000
Exact Mass
212.965127
SMILES
C1=CC(=NC2=C1SC=C2C(=O)O)Cl
InChI
InChI=1S/C8H4ClNO2S/c9-6-2-1-5-7(10-6)4(3-13-5)8(11)12/h1-3H,(H,11,12)
InChIKey
DHMWTHARWQKMLE-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
2.4
Consensus LogP
2.46
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5