CAS RN: 129393-28-8
Euphorbia factor L9
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.20250404 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129393-28-8
- Purity/Analytical Methods: >99.0%
129393-28-8 / [(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] pyridine-3-carboxylate
Basic Information
CAS
129393-28-8
Multi CAS
No
Molecular Formula
C37H41NO9
Molecular Weight
643.700000
Exact Mass
643.278132
SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)[C@@H](C[C@H]4[C@H](C4(C)C)/C=C(\C2=O)/C)OC(=O)C5=CN=CC=C5)OC(=O)C)OC(=O)C
InChI
InChI=1S/C37H41NO9/c1-20-16-27-28(36(27,6)7)17-29(45-35(43)26-14-11-15-38-19-26)22(3)32(44-23(4)39)30-31(46-34(42)25-12-9-8-10-13-25)21(2)18-37(30,33(20)41)47-24(5)40/h8-16,19,21,27-32H,3,17-18H2,1-2,4-7H3/b20-16-/t21-,27+,28-,29+,30+,31-,32-,37+/m0/s1
InChIKey
KJVZJVTXTSJYTG-DHTCIELZSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
169.69
TPSA
135.16
LogP / Solubility
WLOGP
5.47
MLOGP
4.87
XLogP3
5.4
Consensus LogP
5.25
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
-
BOC-CYS(4-MEBZL)-OL
- CAS RN: 129397-85-9
- Product Code: starshine_CAS129397-85-9
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 129421-32-5 2,3-Dihydro-1,4-dioxino[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129421-32-5.gif)
