![CAS 1156137-19-7 4-chlorothieno[3,2-d]pyrimidine-6-sulfonyl chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1156137-19-7.gif)
CAS RN: 1156137-19-7
4-chlorothieno[3,2-d]pyrimidine-6-sulfonyl chloride
- Product code: SSC-015370
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1156137-19-7 / 4-chlorothieno[3,2-d]pyrimidine-6-sulfonyl chloride
4-chlorothieno[3,2-d]pyrimidine-6-sulfonyl chloride | MFCD12174293 | SY212233
Basic Information
CAS
1156137-19-7
Multi CAS
Yes
Molecular Formula
C6H2Cl2N2O2S2
Molecular Weight
269.100000
Exact Mass
267.893475
SMILES
C1=C(SC2=C1N=CN=C2Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2Cl2N2O2S2/c7-6-5-3(9-2-10-6)1-4(13-5)14(8,11)12/h1-2H
InChIKey
GXHMPPJFJTVIGJ-UHFFFAOYSA-N
Synonyms
4-chlorothieno[3,2-d]pyrimidine-6-sulfonyl chloride
MFCD12174293
SY212233
EN300-262925
4-chlorothieno[3,2-d]pyrimidine-6-sulfonylchloride
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
55.46
TPSA
59.92
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.6
Consensus LogP
2.29
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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