CAS RN: 1675201-90-7
BMS-8
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250625 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250713 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250104 | 250mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry | |
| Batchno.20260621 | 50mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260228 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1675201-90-7
- Purity/Analytical Methods: >99.0%
1675201-90-7 / 1-[[3-bromo-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
Basic Information
CAS
1675201-90-7
Multi CAS
No
Molecular Formula
C27H28BrNO3
Molecular Weight
494.400000
Exact Mass
493.125260
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=C(C=C(C=C3)CN4CCCCC4C(=O)O)Br
InChI
InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)
InChIKey
QRXBPPWUGITQLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
130.77
TPSA
49.77
LogP / Solubility
WLOGP
6.44
MLOGP
5.7
XLogP3
4.1
Consensus LogP
5.41
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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
Yes
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
Leadlikeness
No
Synthetic Accessibility
3.5
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