CAS RN: 211237-33-1
BIOTIN-XX-HYDRAZIDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS211237-33-1
- Purity/Analytical Methods: >99.0%
211237-33-1 / 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-(6-hydrazinyl-6-oxohexyl)hexanamide
Basic Information
CAS
211237-33-1
Multi CAS
No
Molecular Formula
C22H40N6O4S
Molecular Weight
484.700000
Exact Mass
484.283175
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NN)NC(=O)N2
InChI
InChI=1S/C22H40N6O4S/c23-28-20(31)12-4-2-8-14-24-18(29)10-3-1-7-13-25-19(30)11-6-5-9-17-21-16(15-33-17)26-22(32)27-21/h16-17,21H,1-15,23H2,(H,24,29)(H,25,30)(H,28,31)(H2,26,27,32)/t16-,17-,21-/m0/s1
InChIKey
LOIYZIMLLRKKNS-FIKGOQFSSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.82
Rotatable bonds
17
H-bond acceptors
6
H-bond donors
6
Molar refractivity
129.24
TPSA
154.45
LogP / Solubility
WLOGP
1.06
MLOGP
0.96
Consensus LogP
0.67
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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