![CAS 2095607-18-2 Thieno[3,2-c]pyridine-2-carboxylic acid, 6-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095607-18-2.png)
CAS RN: 2095607-18-2
Thieno[3,2-c]pyridine-2-carboxylic acid, 6-chloro-
- Product code: SSC-099376
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2095607-18-2 / 6-chlorothieno[3,2-c]pyridine-2-carboxylic acid
Basic Information
CAS
2095607-18-2
Multi CAS
No
Molecular Formula
C8H4ClNO2S
Molecular Weight
213.640000
Exact Mass
212.965127
SMILES
C1=C2C(=CN=C1Cl)C=C(S2)C(=O)O
InChI
InChI=1S/C8H4ClNO2S/c9-7-2-5-4(3-10-7)1-6(13-5)8(11)12/h1-3H,(H,11,12)
InChIKey
PLVRHJKTBBGUQI-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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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