CAS RN: 1458576-00-5
Acetylene-PEG4-biotin conjugate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251106 | 10mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-057043
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1458576-00-5 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
Basic Information
CAS
1458576-00-5
Multi CAS
No
Molecular Formula
C21H35N3O6S
Molecular Weight
457.600000
Exact Mass
457.224657
SMILES
C#CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
InChI
InChI=1S/C21H35N3O6S/c1-2-8-27-10-12-29-14-15-30-13-11-28-9-7-22-19(25)6-4-3-5-18-20-17(16-31-18)23-21(26)24-20/h1,17-18,20H,3-16H2,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1
InChIKey
SKMJWNZZFUDLKQ-BJLQDIEVSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.81
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
3
Molar refractivity
119.08
TPSA
107.15
LogP / Solubility
WLOGP
0.53
MLOGP
0.5
XLogP3
-0.4
Consensus LogP
0.21
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.23
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
CHR 6494 trifluoroacetate
- CAS RN: 1458630-17-5
- Product Code: starshine_CAS1458630-17-5
- Purity/Analytical method: >99.0%
-
-
β-catenin-IN-2
- CAS RN: 1458664-10-2
- Product Code: starshine_CAS1458664-10-2
- Purity/Analytical method: >99.0%
-
(S)-Cbz-3-Amino-4,4,4-trifluorobutanoic acid
- CAS RN: 1458674-47-9
- Product Code: SSC-057049
-
-
4,9-Dibromo-2,7-bis(2-hexyldecyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
- CAS RN: 1459168-68-3
- Product Code: starshine_CAS1459168-68-3
- Purity/Analytical method: >99.0%
![CAS 1459147-21-7 9,9′-Spirobi[9H-xanthene], 2-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1459147-21-7.gif)
![CAS 1459168-68-3 4,9-Dibromo-2,7-bis(2-hexyldecyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1459168-68-3.gif)