CAS RN: 2108830-08-4
TH 1834
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250318 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260608 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250308 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250207 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250720 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260409 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2108830-08-4
- Purity/Analytical Methods: >99.0%
2108830-08-4 / 2-[5-[4-[[2-phenylethyl-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]butyl]amino]methyl]phenyl]tetrazol-2-yl]acetic acid
Basic Information
CAS
2108830-08-4
Multi CAS
No
Molecular Formula
C33H40N6O3
Molecular Weight
568.700000
Exact Mass
568.316189
SMILES
C1CCN(C1)CC2=CC=C(C=C2)OCCCCN(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C5=NN(N=N5)CC(=O)O
InChI
InChI=1S/C33H40N6O3/c40-32(41)26-39-35-33(34-36-39)30-14-10-28(11-15-30)25-38(22-18-27-8-2-1-3-9-27)21-6-7-23-42-31-16-12-29(13-17-31)24-37-19-4-5-20-37/h1-3,8-17H,4-7,18-26H2,(H,40,41)
InChIKey
XERATECPNBWJFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
23
Fraction Csp3
0.39
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
1
Molar refractivity
161.99
TPSA
96.61
LogP / Solubility
WLOGP
4.92
MLOGP
4.38
XLogP3
3.7
Consensus LogP
4.33
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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