CAS RN: 2100306-75-8
N-(Biotin)-N-bis(PEG1-alcohol)
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.20251014 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2100306-75-8
- Purity/Analytical Methods: >99.0%
2100306-75-8 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N,N-bis[2-(2-hydroxyethoxy)ethyl]pentanamide
Basic Information
CAS
2100306-75-8
Multi CAS
No
Molecular Formula
C18H33N3O6S
Molecular Weight
419.500000
Exact Mass
419.209007
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)N(CCOCCO)CCOCCO)NC(=O)N2
InChI
InChI=1S/C18H33N3O6S/c22-7-11-26-9-5-21(6-10-27-12-8-23)16(24)4-2-1-3-15-17-14(13-28-15)19-18(25)20-17/h14-15,17,22-23H,1-13H2,(H2,19,20,25)/t14-,15-,17-/m0/s1
InChIKey
NYEUWOGNEWCFCZ-ZOBUZTSGSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.89
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
4
Molar refractivity
106.35
TPSA
120.36
LogP / Solubility
WLOGP
-0.44
MLOGP
-0.36
XLogP3
-1.4
Consensus LogP
-0.73
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
N-(Azido-PEG3)-N-Biotin-PEG4-methyl ester
- CAS RN: 2100306-76-9
- Product Code: starshine_CAS2100306-76-9
- Purity/Analytical method: >99.0%
-
-
-
-
-
