CAS RN: 29150-63-8
Benzotrithiophene
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250813 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250109 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260106 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250507 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250826 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong | 8-10 business days | Inquiry |
- Product code: starshine_CAS29150-63-8
- Purity/Analytical Methods: >99.0%
29150-63-8 / 3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene
Basic Information
CAS
29150-63-8
Multi CAS
No
Molecular Formula
C12H6S3
Molecular Weight
246.400000
Exact Mass
245.963164
InChI
InChI=1S/C12H6S3/c1-4-13-10-7(1)11-9(2-5-14-11)12-8(10)3-6-15-12/h1-6H
InChIKey
DKSAJSCNXULKER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
15
H-bond acceptors
3
Molar refractivity
72.59
TPSA
84.7000
LogP / Solubility
WLOGP
5.33
MLOGP
4.7
XLogP3
5
Consensus LogP
5.01
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
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)
-0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
4-chloro-2-methyl-6-phenylpyrimidine
- CAS RN: 2915-15-3
- Product Code: starshine_CAS2915-15-3
- Purity/Analytical method: >99.0%
-
-
-
-
-
