CAS RN: 1095253-39-6
ARQ 621
Product Availability
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12 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250711 | 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251227 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251108 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250705 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250818 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20251029 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250525 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1095253-39-6
- Purity/Analytical Methods: >99.0%
1095253-39-6 / N-(3-aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-3-chloro-2-fluorobenzamide
ARQ 621 | ARQ-621 | (R)-N-(3-AMINOPROPYL)-3-CHLORO-N-(1-(7-CHLORO-4-OXO-3-(PHENYLAMINO)-3,4-DIHYDROQUINAZOLIN-2-YL)BUT-3-YN-1-YL)-2-FLUOROBENZAMIDE
Basic Information
CAS
1095253-39-6
Multi CAS
Yes
Molecular Formula
C28H24Cl2FN5O2
Molecular Weight
552.400000
Exact Mass
551.129109
SMILES
C#CC[C@H](C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)F
InChI
InChI=1S/C28H24Cl2FN5O2/c1-2-8-24(35(16-7-15-32)27(37)21-11-6-12-22(30)25(21)31)26-33-23-17-18(29)13-14-20(23)28(38)36(26)34-19-9-4-3-5-10-19/h1,3-6,9-14,17,24,34H,7-8,15-16,32H2/t24-/m1/s1
InChIKey
UPJSUQWHUVLLNW-XMMPIXPASA-N
Synonyms
ARQ 621
ARQ-621
(R)-N-(3-AMINOPROPYL)-3-CHLORO-N-(1-(7-CHLORO-4-OXO-3-(PHENYLAMINO)-3,4-DIHYDROQUINAZOLIN-2-YL)BUT-3-YN-1-YL)-2-FLUOROBENZAMIDE
UNII-UU55190C8S
ARQ 621 [WHO-DD]
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
22
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
148.78
TPSA
93.25
LogP / Solubility
WLOGP
5.27
MLOGP
4.68
XLogP3
5.3
Consensus LogP
5.08
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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