![CAS 1421369-12-1 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenoxypent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421369-12-1.gif)
CAS RN: 1421369-12-1
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenoxypent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250218 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1421369-12-1
- Purity/Analytical Methods: >99.0%
1421369-12-1 / (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenoxypent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
Basic Information
CAS
1421369-12-1
Multi CAS
No
Molecular Formula
C25H37NO5
Molecular Weight
431.600000
Exact Mass
431.267173
SMILES
CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCOC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C25H37NO5/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)15-14-19(27)16-17-31-20-10-6-5-7-11-20/h3,5-8,10-11,14-15,19,21-24,27-29H,2,4,9,12-13,16-18H2,1H3,(H,26,30)/b8-3-,15-14+/t19-,21-,22-,23+,24-/m1/s1
InChIKey
QGDXYIFHBPXXOY-HQUSFCFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
4
Molar refractivity
121.6
TPSA
99.02
LogP / Solubility
WLOGP
2.98
MLOGP
2.65
XLogP3
2.5
Consensus LogP
2.71
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
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)
-3.23
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
5
Customers Also Viewed
-
-
-
1,4-BenzenediaMine, N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]-2-nitro-
- CAS RN: 1421372-67-9
- Product Code: SSC-052873
-
N-(4-fluoro-2-Methoxy-5-nitrophenyl)-4-(1-Methylindol-3-yl)pyriMidin-2-aMine
- CAS RN: 1421372-94-2
- Product Code: SSC-052874
-
-
AZD-9291
- CAS RN: 1421373-65-0
- Product Code: starshine_CAS1421373-65-0
- Purity/Analytical method: >99.0%
![CAS 1421372-67-9 1,4-BenzenediaMine, N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]-2-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421372-67-9.gif)
