CAS RN: 1256918-39-4
BMS-852927
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.20250922 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256918-39-4
- Purity/Analytical Methods: >99.0%
1256918-39-4 / 2-[2-[2-(2,6-dichlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
Basic Information
CAS
1256918-39-4
Multi CAS
No
Molecular Formula
C29H28Cl2F2N2O4S
Molecular Weight
609.500000
Exact Mass
608.111490
SMILES
CC(C)(C1=CN(C(=N1)C(C)(C)C2=C(C=CC=C2Cl)Cl)C3=C(C=C(C=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)F)O
InChI
InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3
InChIKey
HNAJDMYOTDNOBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
151.78
TPSA
92.42
LogP / Solubility
WLOGP
6.57
MLOGP
5.83
XLogP3
5.7
Consensus LogP
6.03
Log S (ESOL)
-7.72
Class (ESOL)
Insoluble
Log S (Ali)
-9.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
Methyl 6-broMo-3-chloropyrazine-2-carboxylate
- CAS RN: 1256921-67-1
- Product Code: SSC-030911
-
3”-O-acetyl-platyconic acid A
- CAS RN: 1256935-28-0
- Product Code: starshine_CAS1256935-28-0
- Purity/Analytical method: >99.0%
-
2”-O-acetyl-platyconic acid A
- CAS RN: 1256935-30-4
- Product Code: starshine_CAS1256935-30-4
- Purity/Analytical method: >99.0%
-
(R)-1-(4-Fluoro-3-Methoxyphenyl)ethanaMine hydrochloride
- CAS RN: 1256944-96-3
- Product Code: starshine_CAS1256944-96-3
- Purity/Analytical method: >99.0%
-
-
11bR,11’bR)- 4,4′-[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis[4,5-dihydro-H-Dinaphth[2,1-c:1′,2′-e]azepine
- CAS RN: 1256952-84-7
- Product Code: starshine_CAS1256952-84-7
- Purity/Analytical method: >99.0%
![CAS 1256952-84-7 11bR,11’bR)- 4,4′-[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis[4,5-dihydro-H-Dinaphth[2,1-c:1′,2′-e]azepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256952-84-7.gif)