CAS RN: 1092952-64-1
Angelol M
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.20250401 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1092952-64-1
- Purity/Analytical Methods: >99.0%
1092952-64-1 / [(1S,2S)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate
Angelol M | [(1R,2R)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate | SCHEMBL29468611
Basic Information
CAS
1092952-64-1
Multi CAS
Yes
Molecular Formula
C20H24O7
Molecular Weight
376.400000
Exact Mass
376.152203
SMILES
C/C=C(/C)\C(=O)O[C@@H]([C@H](C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O
InChI
InChI=1S/C20H24O7/c1-6-11(2)19(23)27-18(20(3,4)24)17(22)13-9-12-7-8-16(21)26-14(12)10-15(13)25-5/h6-10,17-18,22,24H,1-5H3/b11-6-/t17-,18-/m0/s1
InChIKey
GFMYIOGFYYHKLA-MKWBBVNXSA-N
Synonyms
Angelol M
[(1R,2R)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (Z)-2-methylbut-2-enoate
SCHEMBL29468611
FS-8187
DA-50475
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
99.6
TPSA
106.2
LogP / Solubility
WLOGP
2.48
MLOGP
2.21
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
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
3.5
Customers Also Viewed
-
ethyl 4-(2-bromo-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- CAS RN: 1092952-98-1
- Product Code: SSC-010534
-
Hydrazine, [2-fluoro-5-(trifluoroMethyl)phenyl]-, hydrochloride
- CAS RN: 1092958-56-9
- Product Code: SSC-010536
-
-
5-(bromomethyl)-1-methyl-1H-indazole
- CAS RN: 1092961-02-8
- Product Code: starshine_CAS1092961-02-8
- Purity/Analytical method: >99.0%
-
-
![CAS 1092958-56-9 Hydrazine, [2-fluoro-5-(trifluoroMethyl)phenyl]-, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092958-56-9.gif)
