CAS RN: 1217605-72-5
BIOTIN 5-BROMOPENTYLAMIDE
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250414 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217605-72-5
- Purity/Analytical Methods: >99.0%
1217605-72-5 / 5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(5-bromopentyl)pentanamide
Basic Information
CAS
1217605-72-5
Multi CAS
No
Molecular Formula
C15H26BrN3O2S
Molecular Weight
392.400000
Exact Mass
391.092910
SMILES
C1[C@@H]2[C@H]([C@@H](S1)CCCCC(=O)NCCCCCBr)NC(=O)N2
InChI
InChI=1S/C15H26BrN3O2S/c16-8-4-1-5-9-17-13(20)7-3-2-6-12-14-11(10-22-12)18-15(21)19-14/h11-12,14H,1-10H2,(H,17,20)(H2,18,19,21)/t11-,12-,14-/m0/s1
InChIKey
BBMKEQZLWUFNDA-OBJOEFQTSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.87
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
3
Molar refractivity
94.61
TPSA
70.23
LogP / Solubility
WLOGP
2.39
MLOGP
2.13
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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