CAS RN: 1245636-01-4
“ent-Labda-8(17),13Z-diene-15,16,19-triol 19-O-glucoside”
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.20260630 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1245636-01-4
- Purity/Analytical Methods: >99.0%
1245636-01-4 / (2R,3R,4S,5S,6R)-2-[[(1R,4aS,5R,8aS)-5-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
1245636-01-4
Multi CAS
No
Molecular Formula
C26H44O8
Molecular Weight
484.600000
Exact Mass
484.303618
SMILES
C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CC/C(=C/CO)/CO)C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C26H44O8/c1-16-5-8-20-25(2,15-33-24-23(32)22(31)21(30)19(14-29)34-24)10-4-11-26(20,3)18(16)7-6-17(13-28)9-12-27/h9,18-24,27-32H,1,4-8,10-15H2,2-3H3/b17-9-/t18-,19-,20-,21-,22+,23-,24-,25+,26+/m1/s1
InChIKey
RHEKLYSVSMYNQX-NNAYNVENSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.85
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
6
Molar refractivity
126.63
TPSA
139.84
LogP / Solubility
WLOGP
1.27
MLOGP
1.15
XLogP3
1.8
Consensus LogP
1.41
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
(S)-Tert-Butyl3-((methylamino)methyl)pyrrolidine-1-carboxylate
- CAS RN: 1245642-79-8
- Product Code: SSC-028443
-
1-Chloro-6-methylisoquinoline-5-carboxylicacid
- CAS RN: 1245643-02-0
- Product Code: SSC-028444
-
-
(R)-N-(1,4-dihydroxybutan-2-yl)benzamide
- CAS RN: 1245643-19-9
- Product Code: starshine_CAS1245643-19-9
- Purity/Analytical method: >99.0%
-
7-bromo-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one
- CAS RN: 1245643-21-3
- Product Code: starshine_CAS1245643-21-3
- Purity/Analytical method: >99.0%
-
6-(Trifluoromethyl)pyridazine-3-carbaldehyde
- CAS RN: 1245643-49-5
- Product Code: SSC-028447
![CAS 1245643-21-3 7-bromo-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1245643-21-3.gif)
