CAS RN: 436846-91-2
D-erythro-sphinganine-1-phosphate (C20 base)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS436846-91-2
- Purity/Analytical Methods: >99.0%
436846-91-2 / [(2S,3R)-2-azaniumyl-3-hydroxyicosyl] hydrogen phosphate
Basic Information
CAS
436846-91-2
Multi CAS
Yes
Molecular Formula
C20H44NO5P
Molecular Weight
409.500000
Exact Mass
409.295711
InChI
InChI=1S/C20H44NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h19-20,22H,2-18,21H2,1H3,(H2,23,24,25)/t19-,20+/m0/s1
InChIKey
WEYZCBKZGOIPIU-VQTJNVASSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
4
H-bond donors
3
Molar refractivity
108.01
TPSA
117.46
LogP / Solubility
WLOGP
3.7
MLOGP
3.28
XLogP3
3.4
Consensus LogP
3.46
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.59
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
-
1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine
- CAS RN: 436851-80-8
- Product Code: starshine_CAS436851-80-8
- Purity/Analytical method: >99.0%
-
-
3,5-dimethylphenylboronic acid-1,3-propanediol ester
- CAS RN: 436853-63-3
- Product Code: starshine_CAS436853-63-3
- Purity/Analytical method: >99.0%
-
1,1Bis[(2S,5S)-2,5-diethylphospholano]ferrocene, min. 97%
- CAS RN: 436863-50-2
- Product Code: SSC-151794
-
3-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE-3-CARBOXYLIC ACID
- CAS RN: 436867-71-9
- Product Code: SSC-151795
-
![CAS 436863-50-2 1,1Bis[(2S,5S)-2,5-diethylphospholano]ferrocene, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/436863-50-2.gif)
