CAS RN: 1807501-84-3
endo-BCON-PEG3-Boc-Amine
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251015 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250425 | 1g | Out of stock | Inquiry | ||
| Batchno.20251011 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260317 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250218 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1807501-84-3
- Purity/Analytical Methods: >99.0%
1807501-84-3 / tert-butyl N-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
1807501-84-3
Multi CAS
No
Molecular Formula
C24H40N2O7
Molecular Weight
468.600000
Exact Mass
468.283552
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2
InChI
InChI=1S/C24H40N2O7/c1-24(2,3)33-23(28)26-11-13-30-15-17-31-16-14-29-12-10-25-22(27)32-18-21-19-8-6-4-5-7-9-20(19)21/h19-21H,6-18H2,1-3H3,(H,25,27)(H,26,28)
InChIKey
TUOLXDJYWZRBJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
2
Molar refractivity
122.76
TPSA
104.35
LogP / Solubility
WLOGP
2.73
MLOGP
2.43
XLogP3
2.6
Consensus LogP
2.59
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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exo-BCN-PEG2-Boc-Amine
- CAS RN: 1807501-87-6
- Product Code: starshine_CAS1807501-87-6
- Purity/Analytical method: >99.0%
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