CAS RN: 1072443-89-0
SK1-I
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1072443-89-0
- Purity/Analytical Methods: >99.0%
1072443-89-0 / (E,2R,3S)-2-(methylamino)-5-(4-pentylphenyl)pent-4-ene-1,3-diol
SK1-I | BML-258 | CHEMBL2376441
Basic Information
CAS
1072443-89-0
Multi CAS
Yes
Molecular Formula
C17H27NO2
Molecular Weight
277.400000
Exact Mass
277.204179
SMILES
CCCCCC1=CC=C(C=C1)/C=C/[C@@H]([C@@H](CO)NC)O
InChI
InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1
InChIKey
JYEXUQKROPHSEF-SFDDJJRUSA-N
Synonyms
SK1-I
BML-258
CHEMBL2376441
SCHEMBL120911
GTPL6622
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
84.65
TPSA
52.49
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
3.1
Consensus LogP
2.52
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
2-AMino-2-(3-Methylphenyl)acetic Acid Hydrochloride
- CAS RN: 1072449-62-7
- Product Code: SSC-008719
-
-
5-methyl-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1072709-32-0
- Product Code: starshine_CAS1072709-32-0
- Purity/Analytical method: >99.0%
-
1-Allyl-3-vinyliMidazoliuM broMide
- CAS RN: 1072788-73-8
- Product Code: starshine_CAS1072788-73-8
- Purity/Analytical method: >99.0%
-
Carbamic acid, N-[(2R)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester
- CAS RN: 1072792-33-6
- Product Code: starshine_CAS1072792-33-6
- Purity/Analytical method: >99.0%
![CAS 1072792-33-6 Carbamic acid, N-[(2R)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072792-33-6.gif)