CAS RN: 1529775-08-3
Guajadial F
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.20260423 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1529775-08-3
- Purity/Analytical Methods: >99.0%
1529775-08-3 / 1,3-dihydroxy-5a,10-dimethyl-12-phenyl-7-propan-2-yl-7,8,9,10,10a,11,11a,12-octahydrobenzo[b]xanthene-2,4-dicarbaldehyde
Basic Information
CAS
1529775-08-3
Multi CAS
No
Molecular Formula
C30H34O5
Molecular Weight
474.600000
Exact Mass
474.240624
SMILES
CC1CCC(C2=CC3(C(CC12)C(C4=C(C(=C(C(=C4O3)C=O)O)C=O)O)C5=CC=CC=C5)C)C(C)C
InChI
InChI=1S/C30H34O5/c1-16(2)19-11-10-17(3)20-12-24-25(18-8-6-5-7-9-18)26-28(34)22(14-31)27(33)23(15-32)29(26)35-30(24,4)13-21(19)20/h5-9,13-17,19-20,24-25,33-34H,10-12H2,1-4H3
InChIKey
DOFRMKNDUPWODG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
134.27
TPSA
83.83
LogP / Solubility
WLOGP
6.27
MLOGP
5.55
XLogP3
6.6
Consensus LogP
6.14
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.16
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
6.5
Customers Also Viewed
-
(3-Methylene-cyclohexyl)-carbamic acid tert-butyl ester
- CAS RN: 1529782-10-2
- Product Code: SSC-062606
-
-
-
(2-{2-[2-(Toluene-4-sulfonyloxy)-ethoxy]-ethoxy}-ethoxy)-acetic acid tert-butyl ester
- CAS RN: 1530778-24-5
- Product Code: SSC-062680
-
Methyl 3-(3,5-Difluorophenyl)-3-oxopropionate
- CAS RN: 1530834-98-0
- Product Code: SSC-062686
-
6-chloro-4-methyl-1,2,3,4-tetrahydroquinoline(WX142679)
- CAS RN: 1531301-05-9
- Product Code: SSC-062706
![CAS 1530778-24-5 (2-{2-[2-(Toluene-4-sulfonyloxy)-ethoxy]-ethoxy}-ethoxy)-acetic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1530778-24-5.gif)
