CAS RN: 1309125-17-4
Sampsone B
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.20250213 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1309125-17-4
- Purity/Analytical Methods: >99.0%
1309125-17-4 / (4aR,10aR)-3,4a,7,10a-tetramethoxy-4H-dibenzo-p-dioxin-1-one
Basic Information
CAS
1309125-17-4
Multi CAS
No
Molecular Formula
C16H18O7
Molecular Weight
322.310000
Exact Mass
322.105253
SMILES
COC1=CC(=O)[C@@]2([C@@](C1)(OC3=C(O2)C=CC(=C3)OC)OC)OC
InChI
InChI=1S/C16H18O7/c1-18-10-5-6-12-13(7-10)22-15(20-3)9-11(19-2)8-14(17)16(15,21-4)23-12/h5-8H,9H2,1-4H3/t15-,16-/m1/s1
InChIKey
VVGCXZDHBJNPRE-HZPDHXFCSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
78.45
TPSA
72.45
LogP / Solubility
WLOGP
1.65
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.47
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1309128-62-8 Pyrazolo[1,5-a]pyrazine-2-carboxylic acid, 4,5,6,7-tetrahydro- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Pyrazolo[1,5-a]pyrazine-2-carboxylic acid, 4,5,6,7-tetrahydro-
- CAS RN: 1309128-62-8
- Product Code: starshine_CAS1309128-62-8
- Purity/Analytical method: >99.0%
-
ethyl 1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
- CAS RN: 1309174-06-8
- Product Code: SSC-037450
-
Ogerin
- CAS RN: 1309198-71-7
- Product Code: starshine_CAS1309198-71-7
- Purity/Analytical method: >99.0%
-
tert-Butyl 3-(N’-hydroxycarbamimidoyl)-azetidine-1-carboxylate
- CAS RN: 1309207-05-3
- Product Code: SSC-037454
-
-
1-(azetidin-3-yl)ethan-1-one, trifluoroacetic acid
- CAS RN: 1309208-83-0
- Product Code: SSC-037457
![CAS 1309128-62-8 Pyrazolo[1,5-a]pyrazine-2-carboxylic acid, 4,5,6,7-tetrahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1309128-62-8.gif)
![CAS 1309174-06-8 ethyl 1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1309174-06-8.gif)
