CAS RN: 97677-81-1
2-(2-THIENYL)BENZOYL CHLORIDE
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.20260527 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS97677-81-1
- Purity/Analytical Methods: >99.0%
97677-81-1 / 2-thiophen-2-ylbenzoyl chloride
Basic Information
CAS
97677-81-1
Multi CAS
No
Molecular Formula
C11H7CLOS
Molecular Weight
222.690000
Exact Mass
221.990614
InChI
InChI=1S/C11H7ClOS/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
InChIKey
JVOVWZAGQKKACR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.94
TPSA
17.07
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly 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)
-1.38
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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