CAS RN: 1682657-14-2
Propargyl-PEG5-1-O-(b-cyanoethyl-N,N-diisopropyl)phosphoramidite
- Product code: SSC-073350
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1682657-14-2 / 3-[[di(propan-2-yl)amino]-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phosphanyl]oxypropanenitrile
Basic Information
CAS
1682657-14-2
Multi CAS
No
Molecular Formula
C20H37N2O6P
Molecular Weight
432.500000
Exact Mass
432.238924
SMILES
CC(C)N(C(C)C)P(OCCC#N)OCCOCCOCCOCCOCC#C
InChI
InChI=1S/C20H37N2O6P/c1-6-9-23-11-12-24-13-14-25-15-16-26-17-18-28-29(27-10-7-8-21)22(19(2)3)20(4)5/h1,19-20H,7,9-18H2,2-5H3
InChIKey
HEBYJWFLALAISI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.85
Rotatable bonds
20
H-bond acceptors
8
Molar refractivity
113.27
TPSA
82.41
LogP / Solubility
WLOGP
2.98
MLOGP
2.65
XLogP3
1.1
Consensus LogP
2.24
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.34
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)
-3.24
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
3
Customers Also Viewed
-
trans-2-(2-(trifluoromethoxy)phenyl)cyclopropane-1-carboxylic acid
- CAS RN: 1683526-60-4
- Product Code: SSC-073383
-
3-Aminopropyl (2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl)carbamate hydrochloride
- CAS RN: 1683535-53-6
- Product Code: starshine_CAS1683535-53-6
- Purity/Analytical method: >99.0%
-
4-(Ethoxycarbonyldifluoromethyl)-phenyl-boronic acid pinacol ester
- CAS RN: 1683545-35-8
- Product Code: SSC-073384
-
(S)-3-(tert-butyl)-4-(2,5-diphenylcyclopenta-2,4-dien-1-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
- CAS RN: 1683581-58-9
- Product Code: SSC-073387
-
Apcin-A
- CAS RN: 1683617-62-0
- Product Code: starshine_CAS1683617-62-0
- Purity/Analytical method: >99.0%
-
![CAS 1683581-58-9 (S)-3-(tert-butyl)-4-(2,5-diphenylcyclopenta-2,4-dien-1-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1683581-58-9.gif)
