CAS RN: 2100306-84-9
N-(Amino-PEG4)-N-Biotin-PEG4-acid
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.20251022 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2100306-84-9
- Purity/Analytical Methods: >99.0%
2100306-84-9 / 3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2100306-84-9
Multi CAS
No
Molecular Formula
C31H58N4O12S
Molecular Weight
710.900000
Exact Mass
710.377194
SMILES
C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCN)NC(=O)N2
InChI
InChI=1S/C31H58N4O12S/c32-6-10-41-14-18-45-22-24-47-20-16-43-12-8-35(7-11-42-15-19-46-23-21-44-17-13-40-9-5-29(37)38)28(36)4-2-1-3-27-30-26(25-48-27)33-31(39)34-30/h26-27,30H,1-25,32H2,(H,37,38)(H2,33,34,39)/t26-,27-,30-/m1/s1
InChIKey
AZKXAZTWSKMXDE-YCVRVPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Fraction Csp3
0.9
Rotatable bonds
34
H-bond acceptors
13
H-bond donors
4
Molar refractivity
178.4
TPSA
198.6
LogP / Solubility
WLOGP
0.11
MLOGP
0.16
XLogP3
-4.6
Consensus LogP
-1.44
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble
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)
-6.98
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
5.5
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![CAS 2101206-21-5 2,3,4,5,6-Pentafluorophenyl 3-[2-(2-{2-[(4-formylphenyl)formamido]ethoxy}ethoxy)ethoxy]propanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101206-21-5.png)
