![CAS 1415761-30-6 2H-Dithieno[3,2-e:2′,3′-g]benzotriazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415761-30-6(2).gif)
CAS RN: 1415761-30-6
2H-Dithieno[3,2-e:2′,3′-g]benzotriazole
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS1415761-30-6
- Purity/Analytical Methods: >99.0%
1415761-30-6 / 10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaene
Basic Information
CAS
1415761-30-6
Multi CAS
No
Molecular Formula
C10H5N3S2
Molecular Weight
231.300000
Exact Mass
230.992490
SMILES
C1=CSC2=C1C3=NNN=C3C4=C2SC=C4
InChI
InChI=1S/C10H5N3S2/c1-3-14-9-5(1)7-8(12-13-11-7)6-2-4-15-10(6)9/h1-4H,(H,11,12,13)
InChIKey
LHUPKZULYGTQRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
15
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.65
TPSA
41.57
LogP / Solubility
WLOGP
3.39
MLOGP
2.98
XLogP3
2.1
Consensus LogP
2.82
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1415792-84-5 (S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
- CAS RN: 1415792-84-5
- Product Code: starshine_CAS1415792-84-5
- Purity/Analytical method: >99.0%
-
2-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propan-2-ol
- CAS RN: 1415793-95-1
- Product Code: starshine_CAS1415793-95-1
- Purity/Analytical method: >99.0%
-
Angustin A
- CAS RN: 1415795-50-4
- Product Code: starshine_CAS1415795-50-4
- Purity/Analytical method: >99.0%
-
Angustin B
- CAS RN: 1415795-51-5
- Product Code: starshine_CAS1415795-51-5
- Purity/Analytical method: >99.0%
-
-
Hydroxy-Amino-(PEG2-t-butyl ester)2
- CAS RN: 1415800-34-8
- Product Code: starshine_CAS1415800-34-8
- Purity/Analytical method: >99.0%
![CAS 1415792-84-5 (S)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415792-84-5.gif)
.gif)