CAS RN: 117593-36-9
9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS117593-36-9
- Purity/Analytical Methods: >99.0%
117593-36-9 / 9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CIL62 | 9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione | 9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Basic Information
CAS
117593-36-9
Multi CAS
No
Molecular Formula
C23H26O5
Molecular Weight
382.400000
Exact Mass
382.178024
SMILES
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=C(C=C4)O)O)C(=O)C1)C
InChI
InChI=1S/C23H26O5/c1-22(2)8-15(26)20-17(10-22)28-18-11-23(3,4)9-16(27)21(18)19(20)13-6-5-12(24)7-14(13)25/h5-7,19,24-25H,8-11H2,1-4H3
InChIKey
OKXVTYXMGOFJFT-UHFFFAOYSA-N
Synonyms
CIL62
9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
MLS000106042
SMR000103013
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.69
TPSA
83.83
LogP / Solubility
WLOGP
4.5
MLOGP
3.98
XLogP3
3.3
Consensus LogP
3.93
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
(R)-(+)-(3-CHLORO-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE
- CAS RN: 117604-42-9
- Product Code: starshine_CAS117604-42-9
- Purity/Analytical method: >99.0%
-
Tauroursodeoxycholate dihydrate
- CAS RN: 117609-50-4
- Product Code: starshine_CAS117609-50-4
- Purity/Analytical method: >99.0%
-
“1-Hydroxy-1-(4-hydroxy-2-Methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one”
- CAS RN: 117614-84-3
- Product Code: starshine_CAS117614-84-3
- Purity/Analytical method: >99.0%
-
16-Oxocleroda-3,13E-dien-15-oic acid
- CAS RN: 117620-72-1
- Product Code: starshine_CAS117620-72-1
- Purity/Analytical method: >99.0%
-
-
Defluoro Levofloxacin
- CAS RN: 117620-85-6
- Product Code: starshine_CAS117620-85-6
- Purity/Analytical method: >99.0%
