CAS RN: 604-66-0
Diacetic acid 9,10-anthracenediyl ester
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.20250626 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS604-66-0
- Purity/Analytical Methods: >99.0%
604-66-0 / (10-acetyloxyanthracen-9-yl) acetate
Basic Information
CAS
604-66-0
Multi CAS
Yes
Molecular Formula
C18H14O4
Molecular Weight
294.300000
Exact Mass
294.089209
InChI
InChI=1S/C18H14O4/c1-11(19)21-17-13-7-3-5-9-15(13)18(22-12(2)20)16-10-6-4-8-14(16)17/h3-10H,1-2H3
InChIKey
RURGWVZQAKAYDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
84.07
TPSA
52.6
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
3.9
Consensus LogP
3.71
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-1.79
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
2.5
Customers Also Viewed
-
ISORHAMNETIN-3-RUTINOSIDE
- CAS RN: 604-80-8
- Product Code: starshine_CAS604-80-8
- Purity/Analytical method: >99.0%
-
(+)-Normacusine B
- CAS RN: 604-99-9
- Product Code: starshine_CAS604-99-9
- Purity/Analytical method: >99.0%
-
-
Serpentinic acid
- CAS RN: 605-14-1
- Product Code: starshine_CAS605-14-1
- Purity/Analytical method: >99.0%
-
-
