![CAS 1187830-60-9 7-Chloro-thieno[3,2-b]pyridine oxalic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-60-9.gif)
CAS RN: 1187830-60-9
7-Chloro-thieno[3,2-b]pyridine oxalic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260612 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1187830-60-9
- Purity/Analytical Methods: >99.0%
1187830-60-9 / 7-chlorothieno[3,2-b]pyridine;oxalic acid
7-Chlorothieno[3,2-b]pyridine oxalate | 7-Chlorothieno[3,2-b]pyridine oxalic acid | 7-chlorothieno[3,2-b]pyridine;oxalic acid
Basic Information
CAS
1187830-60-9
Multi CAS
Yes
Molecular Formula
C9H6ClNO4S
Molecular Weight
259.670000
Exact Mass
258.970607
SMILES
C1=CN=C2C=CSC2=C1Cl.C(=O)(C(=O)O)O
InChI
InChI=1S/C7H4ClNS.C2H2O4/c8-5-1-3-9-6-2-4-10-7(5)6;3-1(4)2(5)6/h1-4H;(H,3,4)(H,5,6)
InChIKey
VBXPQNIUZALZDW-UHFFFAOYSA-N
Synonyms
7-Chlorothieno[3,2-b]pyridine oxalate
7-Chlorothieno[3,2-b]pyridine oxalic acid
7-chlorothieno[3,2-b]pyridine;oxalic acid
7-Chloro-thieno[3,2-b]pyridine oxalic acid
MFCD11846193
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.9
TPSA
87.49
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
2.11
Consensus LogP
2.03
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4H-Amino-1,3-dihydroisothiochromen-1,1-dioxide hydrochloride
- CAS RN: 1187830-61-0
- Product Code: SSC-018750
-
6-broMo-4,4-diMethyl-1,2,3,4-tetrahydroquinoline hydrochloride
- CAS RN: 1187830-63-2
- Product Code: SSC-018751
-
7-(TrifluoroMethyl)-1,2,3,4-tetrahydro-isoquinolin-5-carbonitrile HCl
- CAS RN: 1187830-66-5
- Product Code: SSC-018752
-
Methyl 7-(trifluoroMethyl)-1,2,3,4-tetrahydro-isoquinolin-5-carboxylate HCl
- CAS RN: 1187830-67-6
- Product Code: starshine_CAS1187830-67-6
- Purity/Analytical method: >99.0%
-
1,4,5,6-Tetrahydro-1-Methylpyrrolo[3,4-c]pyrazole HCl
- CAS RN: 1187830-68-7
- Product Code: SSC-018753
-
7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidinehydrochloride
- CAS RN: 1187830-71-2
- Product Code: SSC-018754
![CAS 1187830-68-7 1,4,5,6-Tetrahydro-1-Methylpyrrolo[3,4-c]pyrazole HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-68-7.gif)
![CAS 1187830-71-2 7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidinehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-71-2.gif)