CAS RN: 1620523-64-9
Azide-SS-biotin
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250527 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1620523-64-9
- Purity/Analytical Methods: >99.0%
1620523-64-9 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(2-azidoethyldisulfanyl)ethyl]pentanamide
Basic Information
CAS
1620523-64-9
Multi CAS
No
Molecular Formula
C14H24N6O2S3
Molecular Weight
404.600000
Exact Mass
404.112288
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C14H24N6O2S3/c15-20-17-6-8-25-24-7-5-16-12(21)4-2-1-3-11-13-10(9-23-11)18-14(22)19-13/h10-11,13H,1-9H2,(H,16,21)(H2,18,19,22)/t10-,11-,13-/m0/s1
InChIKey
CMWHTSPPRPEKSH-GVXVVHGQSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.86
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
105.9
TPSA
118.99
LogP / Solubility
WLOGP
2.52
MLOGP
2.24
XLogP3
1.7
Consensus LogP
2.15
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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