CAS RN: 583050-71-9
C10-BTBT
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.20260330 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS583050-71-9
- Purity/Analytical Methods: >99.0%
583050-71-9 / 2,7-didecyl-[1]benzothiolo[3,2-b][1]benzothiole
Basic Information
CAS
583050-71-9
Multi CAS
No
Molecular Formula
C34H48S2
Molecular Weight
520.900000
Exact Mass
520.319744
InChI
InChI=1S/C34H48S2/c1-3-5-7-9-11-13-15-17-19-27-21-23-29-31(25-27)35-34-30-24-22-28(26-32(30)36-33(29)34)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3
InChIKey
UFQDRJSFCWDIGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.59
Rotatable bonds
18
H-bond acceptors
2
Molar refractivity
167.34
TPSA
56.5000
LogP / Solubility
WLOGP
12.64
MLOGP
11.16
XLogP3
15.6
Consensus LogP
13.13
Log S (ESOL)
-10.17
Class (ESOL)
Insoluble
Log S (Ali)
-12.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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