CAS RN: 1807512-43-1
Dde Biotin-PEG4-DBCO
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260418 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251123 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251123 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250718 | 5mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250621 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1807512-43-1
- Purity/Analytical Methods: >99.0%
1807512-43-1 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]imino-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Basic Information
CAS
1807512-43-1
Multi CAS
No
Molecular Formula
C47H61N5O9S
Molecular Weight
872.100000
Exact Mass
871.419000
SMILES
CC1(CC(=C(C(=O)C1)C(=NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)O)C
InChI
InChI=1S/C47H61N5O9S/c1-47(2)29-39(53)44(40(54)30-47)36(48-19-17-43(56)52-31-35-11-4-3-9-33(35)15-16-34-10-5-6-12-38(34)52)18-21-58-23-25-60-27-28-61-26-24-59-22-20-49-42(55)14-8-7-13-41-45-37(32-62-41)50-46(57)51-45/h3-6,9-12,37,41,45,53H,7-8,13-14,17-32H2,1-2H3,(H,49,55)(H2,50,51,57)/t37-,41-,45-/m0/s1
InChIKey
MBDLFOMKROBSCE-WALFPXMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
24
H-bond acceptors
11
H-bond donors
4
Molar refractivity
239.51
TPSA
177.12
LogP / Solubility
WLOGP
5.26
MLOGP
4.71
XLogP3
2.9
Consensus LogP
4.29
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-10.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.3
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
7
