CAS RN: 684238-37-7
BMS 986187
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.20260503 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS684238-37-7
- Purity/Analytical Methods: >99.0%
684238-37-7 / 3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Basic Information
CAS
684238-37-7
Multi CAS
No
Molecular Formula
C31H34O4
Molecular Weight
470.600000
Exact Mass
470.245710
InChI
InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3
InChIKey
UEKIYVKPQNKSDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
135.88
TPSA
52.6
LogP / Solubility
WLOGP
6.97
MLOGP
6.17
XLogP3
5.8
Consensus LogP
6.31
Log S (ESOL)
-7.14
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 684249-99-8 (3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID
- CAS RN: 684249-99-8
- Product Code: starshine_CAS684249-99-8
- Purity/Analytical method: >99.0%
-
(S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-AZIDOPROPANOIC ACID
- CAS RN: 684270-46-0
- Product Code: SSC-178171
-
PeraMpanel
- CAS RN: 684648-40-6
- Product Code: starshine_CAS684648-40-6
- Purity/Analytical method: >99.0%
-
3-chlorophenylboronic acid-1,3-propanediol ester
- CAS RN: 684648-44-0
- Product Code: starshine_CAS684648-44-0
- Purity/Analytical method: >99.0%
-
2-(3,5-Difluorophenyl)-1,3,2-dioxaborinane
- CAS RN: 684648-47-3
- Product Code: starshine_CAS684648-47-3
- Purity/Analytical method: >99.0%
-
3,4-difluorophenylboronic acid-1,3-propanediol ester
- CAS RN: 684648-49-5
- Product Code: starshine_CAS684648-49-5
- Purity/Analytical method: >99.0%
![CAS 684249-99-8 (3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/684249-99-8.gif)
