CAS RN: 918407-35-9
BCX-4161
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251231 | 100mg | Out of stock | Inquiry | |
| Batchno.20260129 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260421 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251231 | 250mg | Out of stock | Inquiry | |
| Batchno.20250615 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250515 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS918407-35-9
- Purity/Analytical Methods: >99.0%
918407-35-9 / 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylic acid
Basic Information
CAS
918407-35-9
Multi CAS
No
Molecular Formula
C28H27N5O5
Molecular Weight
513.500000
Exact Mass
513.201219
InChI
InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)
InChIKey
TUWMKPVJGGWGNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
5
Molar refractivity
143.74
TPSA
167.49
LogP / Solubility
WLOGP
3.77
MLOGP
3.36
XLogP3
3.2
Consensus LogP
3.44
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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